5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C83H86Br5N29 — CID 159436857

IUPAC5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCC(c2cc(N)n3ncc(Br)c3n2)CC1.Cc1nc2ccc(CNc3cc(-c4ccccc4)nc4c(Br)cnn34)cc2[nH]1.Cn1cnc2cc(CNc3cc(-c4ccccc4)nc4c(Br)cnn34)ccc21.NCC1CCN(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.Nc1cc(C2CCNCC2)nc2c(Br)cnn12
InChIInChI=1S/2C21H17BrN6.C18H22BrN7.C12H16BrN5.C11H14BrN5/c1-27-13-24-18-9-14(7-8-19(18)27)11-23-20-10-17(15-5-3-2-4-6-15)26-21-16(22)12-25-28(20)21;1-13-25-17-8-7-14(9-19(17)26-13)11-23-20-10-18(15-5-3-2-4-6-15)27-21-16(22)12-24-28(20)21;19-15-12-23-26-16(22-11-14-2-1-5-21-10-14)8-17(24-18(15)26)25-6-3-13(9-20)4-7-25;1-17-4-2-8(3-5-17)10-6-11(14)18-12(16-10)9(13)7-15-18;12-8-6-15-17-10(13)5-9(16-11(8)17)7-1-3-14-4-2-7/h2-10,12-13,23H,11H2,1H3;2-10,12,23H,11H2,1H3,(H,25,26);1-2,5,8,10,12-13,22H,3-4,6-7,9,11,20H2;6-8H,2-5,14H2,1H3;5-7,14H,1-4,13H2
InChIKeyLRRLOGSVECBZLD-UHFFFAOYSA-N
MW1889.32 g/mol
LogP15.71
Rot. Bonds15

About 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159436857) has the molecular formula C83H86Br5N29 and a molecular weight of 1889.32 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159436857
Molecular FormulaC83H86Br5N29
Molecular Weight1889.32 g/mol
Exact Mass1883.35
IUPAC Name5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCC(c2cc(N)n3ncc(Br)c3n2)CC1.Cc1nc2ccc(CNc3cc(-c4ccccc4)nc4c(Br)cnn34)cc2[nH]1.Cn1cnc2cc(CNc3cc(-c4ccccc4)nc4c(Br)cnn34)ccc21.NCC1CCN(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.Nc1cc(C2CCNCC2)nc2c(Br)cnn12
InChIInChI=1S/2C21H17BrN6.C18H22BrN7.C12H16BrN5.C11H14BrN5/c1-27-13-24-18-9-14(7-8-19(18)27)11-23-20-10-17(15-5-3-2-4-6-15)26-21-16(22)12-25-28(20)21;1-13-25-17-8-7-14(9-19(17)26-13)11-23-20-10-18(15-5-3-2-4-6-15)27-21-16(22)12-24-28(20)21;19-15-12-23-26-16(22-11-14-2-1-5-21-10-14)8-17(24-18(15)26)25-6-3-13(9-20)4-7-25;1-17-4-2-8(3-5-17)10-6-11(14)18-12(16-10)9(13)7-15-18;12-8-6-15-17-10(13)5-9(16-11(8)17)7-1-3-14-4-2-7/h2-10,12-13,23H,11H2,1H3;2-10,12,23H,11H2,1H3,(H,25,26);1-2,5,8,10,12-13,22H,3-4,6-7,9,11,20H2;6-8H,2-5,14H2,1H3;5-7,14H,1-4,13H2
InChIKeyLRRLOGSVECBZLD-UHFFFAOYSA-N
XLogP15.71
TPSA343.00 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001889.32
LogP ≤ 515.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[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

3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 161390291
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446
3-bromo-5-(1-methylsulfanylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142870415
3-bromo-5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090567
3-bromo-5-(2-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066924
CID 89023533
CID 89023533
5-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydroindol-2-one;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160705404
3-bromo-5-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066491
[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 21066161
2-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 21065635
3-bromo-5-[1-[2-(iodoamino)oxiran-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090670
4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N-cyclopentylpiperidine-1-carboxamide
CID 21066194

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159436857) is 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN1CCC(c2cc(N)n3ncc(Br)c3n2)CC1.Cc1nc2ccc(CNc3cc(-c4ccccc4)nc4c(Br)cnn34)cc2[nH]1.Cn1cnc2cc(CNc3cc(-c4ccccc4)nc4c(Br)cnn34)ccc21.NCC1CCN(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.Nc1cc(C2CCNCC2)nc2c(Br)cnn12.
What is the InChIKey of 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LRRLOGSVECBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17BrN6.C18H22BrN7.C12H16BrN5.C11H14BrN5/c1-27-13-24-18-9-14(7-8-19(18)27)11-23-20-10-17(15-5-3-2-4-6-15)26-21-16(22)12-25-28(20)21;1-13-25-17-8-7-14(9-19(17)26-13)11-23-20-10-18(15-5-3-2-4-6-15)27-21-16(22)12-24-28(20)21;19-15-12-23-26-16(22-11-14-2-1-5-21-10-14)8-17(24-18(15)26)25-6-3-13(9-20)4-7-25;1-17-4-2-8(3-5-17)10-6-11(14)18-12(16-10)9(13)7-15-18;12-8-6-15-17-10(13)5-9(16-11(8)17)7-1-3-14-4-2-7/h2-10,12-13,23H,11H2,1H3;2-10,12,23H,11H2,1H3,(H,25,26);1-2,5,8,10,12-13,22H,3-4,6-7,9,11,20H2;6-8H,2-5,14H2,1H3;5-7,14H,1-4,13H2.
What are the key properties of 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1889.32 g/mol, XLogP of 15.71, 15 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidin-1-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159436857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).