N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C116H166Br5Cl2N47O4 — CID 159293437

IUPACN'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(C4=CCC=C4)cnn3c(N)c2Br)C1.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](NCCN)C3)nc12.NCCN1CCCC(c2nc3c(C4=CCC=C4)cnn3c(N)c2Br)C1
InChIInChI=1S/C23H31BrN6O2.C19H30BrN7O2.C18H23BrN6.C16H20ClN7.C14H22BrN7.C13H20BrN7.C13H20ClN7/c1-23(2,3)32-22(31)26-10-12-29-11-6-9-16(14-29)19-18(24)20(25)30-21(28-19)17(13-27-30)15-7-4-5-8-15;1-5-12-10-24-27-15(21)14(20)17(25-16(12)27)26-9-6-13(11-26)22-7-8-23-18(28)29-19(2,3)4;19-15-16(13-6-3-8-24(11-13)9-7-20)23-18-14(12-4-1-2-5-12)10-22-25(18)17(15)21;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;1-2-9-7-19-22-12(17)11(15)14(20-13(9)22)21-6-3-10(8-21)18-5-4-16;2*1-8-6-18-21-11(16)10(14)13(19-12(8)21)20-5-2-9(7-20)17-4-3-15/h4,7-8,13,16H,5-6,9-12,14,25H2,1-3H3,(H,26,31);10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);1,4-5,10,13H,2-3,6-9,11,20-21H2;6-7,9-10H,3-5,8,18H2,1-2H3;7,10,18H,2-6,8,16-17H2,1H3;2*6,9,17H,2-5,7,15-16H2,1H3/t;13-;;;10-;2*9-/m.0..000/s1
InChIKeyLAKJHXWFPIBBSX-ZIFQYDLHSA-N
MW2753.35 g/mol
LogP12.85
Rot. Bonds30

About N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159293437) has the molecular formula C116H166Br5Cl2N47O4 and a molecular weight of 2753.35 g/mol. Its IUPAC name is N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159293437
Molecular FormulaC116H166Br5Cl2N47O4
Molecular Weight2753.35 g/mol
Exact Mass2745.95
IUPAC NameN'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(C4=CCC=C4)cnn3c(N)c2Br)C1.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](NCCN)C3)nc12.NCCN1CCCC(c2nc3c(C4=CCC=C4)cnn3c(N)c2Br)C1
InChIInChI=1S/C23H31BrN6O2.C19H30BrN7O2.C18H23BrN6.C16H20ClN7.C14H22BrN7.C13H20BrN7.C13H20ClN7/c1-23(2,3)32-22(31)26-10-12-29-11-6-9-16(14-29)19-18(24)20(25)30-21(28-19)17(13-27-30)15-7-4-5-8-15;1-5-12-10-24-27-15(21)14(20)17(25-16(12)27)26-9-6-13(11-26)22-7-8-23-18(28)29-19(2,3)4;19-15-16(13-6-3-8-24(11-13)9-7-20)23-18-14(12-4-1-2-5-12)10-22-25(18)17(15)21;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;1-2-9-7-19-22-12(17)11(15)14(20-13(9)22)21-6-3-10(8-21)18-5-4-16;2*1-8-6-18-21-11(16)10(14)13(19-12(8)21)20-5-2-9(7-20)17-4-3-15/h4,7-8,13,16H,5-6,9-12,14,25H2,1-3H3,(H,26,31);10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);1,4-5,10,13H,2-3,6-9,11,20-21H2;6-7,9-10H,3-5,8,18H2,1-2H3;7,10,18H,2-6,8,16-17H2,1H3;2*6,9,17H,2-5,7,15-16H2,1H3/t;13-;;;10-;2*9-/m.0..000/s1
InChIKeyLAKJHXWFPIBBSX-ZIFQYDLHSA-N
XLogP12.85
TPSA662.83 Ų
H-Bond Donors17
H-Bond Acceptors49
Rotatable Bonds30
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.35
LogP ≤ 512.85
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159293437) is N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(C4=CCC=C4)cnn3c(N)c2Br)C1.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](NCCN)C3)nc12.NCCN1CCCC(c2nc3c(C4=CCC=C4)cnn3c(N)c2Br)C1.
What is the InChIKey of N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LAKJHXWFPIBBSX-ZIFQYDLHSA-N. The full InChI is InChI=1S/C23H31BrN6O2.C19H30BrN7O2.C18H23BrN6.C16H20ClN7.C14H22BrN7.C13H20BrN7.C13H20ClN7/c1-23(2,3)32-22(31)26-10-12-29-11-6-9-16(14-29)19-18(24)20(25)30-21(28-19)17(13-27-30)15-7-4-5-8-15;1-5-12-10-24-27-15(21)14(20)17(25-16(12)27)26-9-6-13(11-26)22-7-8-23-18(28)29-19(2,3)4;19-15-16(13-6-3-8-24(11-13)9-7-20)23-18-14(12-4-1-2-5-12)10-22-25(18)17(15)21;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;1-2-9-7-19-22-12(17)11(15)14(20-13(9)22)21-6-3-10(8-21)18-5-4-16;2*1-8-6-18-21-11(16)10(14)13(19-12(8)21)20-5-2-9(7-20)17-4-3-15/h4,7-8,13,16H,5-6,9-12,14,25H2,1-3H3,(H,26,31);10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);1,4-5,10,13H,2-3,6-9,11,20-21H2;6-7,9-10H,3-5,8,18H2,1-2H3;7,10,18H,2-6,8,16-17H2,1H3;2*6,9,17H,2-5,7,15-16H2,1H3/t;13-;;;10-;2*9-/m.0..000/s1.
What are the key properties of N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2753.35 g/mol, XLogP of 12.85, 30 rotatable bonds, 17 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159293437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).