N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide

C74H76Br4FN27O2 — CID 158018786

About N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide (PubChem CID 158018786) has the molecular formula C74H76Br4FN27O2 and a molecular weight of 1714.22 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide
• PubChem CID: 158018786
• Molecular Formula: C74H76Br4FN27O2
• Molecular Weight: 1714.22 g/mol
• Exact Mass: 1709.34
• IUPAC Name: N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide
• SMILES: Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCNCC3)nc12.CNC(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.NC(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.Nc1ncc(CNc2cc(C3CCCNC3)nc3c(Br)cnn23)cn1
• InChI: InChI=1S/C21H17BrFN5O.C19H20BrN7.C18H20BrN7O.C16H19BrN8/c1-24-21(29)14-8-6-13(7-9-14)11-25-19-10-18(15-4-2-3-5-17(15)23)27-20-16(22)12-26-28(19)20;20-14-10-25-27-18(8-16(26-19(14)27)13-3-5-21-6-4-13)22-9-12-1-2-15-17(7-12)24-11-23-15;19-14-11-23-26-16(22-10-12-2-1-5-21-9-12)8-15(24-17(14)26)13-3-6-25(7-4-13)18(20)27;17-12-9-23-25-14(20-5-10-6-21-16(18)22-7-10)4-13(24-15(12)25)11-2-1-3-19-8-11/h2-10,12,25H,11H2,1H3,(H,24,29);1-2,7-8,10-11,13,21-22H,3-6,9H2,(H,23,24);1-2,5,8-9,11,13,22H,3-4,6-7,10H2,(H2,20,27);4,6-7,9,11,19-20H,1-3,5,8H2,(H2,18,21,22)
• InChIKey: FFURBARANAIIRZ-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 361.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1714.22
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide?

The IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide (CID 158018786) is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide?

The canonical SMILES for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide is Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCNCC3)nc12.CNC(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.NC(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.Nc1ncc(CNc2cc(C3CCCNC3)nc3c(Br)cnn23)cn1.

What is the InChIKey of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide?

The InChIKey is FFURBARANAIIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN5O.C19H20BrN7.C18H20BrN7O.C16H19BrN8/c1-24-21(29)14-8-6-13(7-9-14)11-25-19-10-18(15-4-2-3-5-17(15)23)27-20-16(22)12-26-28(19)20;20-14-10-25-27-18(8-16(26-19(14)27)13-3-5-21-6-4-13)22-9-12-1-2-15-17(7-12)24-11-23-15;19-14-11-23-26-16(22-10-12-2-1-5-21-9-12)8-15(24-17(14)26)13-3-6-25(7-4-13)18(20)27;17-12-9-23-25-14(20-5-10-6-21-16(18)22-7-10)4-13(24-15(12)25)11-2-1-3-19-8-11/h2-10,12,25H,11H2,1H3,(H,24,29);1-2,7-8,10-11,13,21-22H,3-6,9H2,(H,23,24);1-2,5,8-9,11,13,22H,3-4,6-7,10H2,(H2,20,27);4,6-7,9,11,19-20H,1-3,5,8H2,(H2,18,21,22).

What are the key properties of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide?

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide has a molecular weight of 1714.22 g/mol, XLogP of 12.42, 17 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 158018786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).