5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

C68H82Br4N28O3 — CID 157408745

IUPAC5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C=C\c1cnn2c(N)cc(C3CCCNC3)nc12.COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Nc1c(Br)c(C2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12
InChIInChI=1S/C19H21N5O2.C14H16BrN7O.C14H19N5.C11H13Br2N5.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;12-7-4-16-18-10(15)8(13)9(17-11(7)18)5-1-2-6(14)3-5;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3;2,4,7,9-10,16H,3,5-6,8,15H2,1H3;4-6H,1-3,14-15H2;3-4,6H,1-2,5,12-13H2/b;;4-2-;;/t;;;5?,6-;6-/m...11/s1
InChIKeyBOAMHVDTNLEGJA-PCWSGRTISA-N
MW1659.21 g/mol
LogP8.22
Rot. Bonds9

About 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157408745) has the molecular formula C68H82Br4N28O3 and a molecular weight of 1659.21 g/mol. Its IUPAC name is 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157408745
Molecular FormulaC68H82Br4N28O3
Molecular Weight1659.21 g/mol
Exact Mass1654.39
IUPAC Name5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C=C\c1cnn2c(N)cc(C3CCCNC3)nc12.COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Nc1c(Br)c(C2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12
InChIInChI=1S/C19H21N5O2.C14H16BrN7O.C14H19N5.C11H13Br2N5.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;12-7-4-16-18-10(15)8(13)9(17-11(7)18)5-1-2-6(14)3-5;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3;2,4,7,9-10,16H,3,5-6,8,15H2,1H3;4-6H,1-3,14-15H2;3-4,6H,1-2,5,12-13H2/b;;4-2-;;/t;;;5?,6-;6-/m...11/s1
InChIKeyBOAMHVDTNLEGJA-PCWSGRTISA-N
XLogP8.22
TPSA425.77 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds9
Heavy Atoms103
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.21
LogP ≤ 58.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 157408745) is 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is C/C=C\c1cnn2c(N)cc(C3CCCNC3)nc12.COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Nc1c(Br)c(C2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12.
What is the InChIKey of 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BOAMHVDTNLEGJA-PCWSGRTISA-N. The full InChI is InChI=1S/C19H21N5O2.C14H16BrN7O.C14H19N5.C11H13Br2N5.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;12-7-4-16-18-10(15)8(13)9(17-11(7)18)5-1-2-6(14)3-5;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3;2,4,7,9-10,16H,3,5-6,8,15H2,1H3;4-6H,1-3,14-15H2;3-4,6H,1-2,5,12-13H2/b;;4-2-;;/t;;;5?,6-;6-/m...11/s1.
What are the key properties of 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1659.21 g/mol, XLogP of 8.22, 9 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157408745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).