2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane

C95H95Br4N33O8S — CID 158696383

About 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane

2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane (PubChem CID 158696383) has the molecular formula C95H95Br4N33O8S and a molecular weight of 2178.71 g/mol. Its IUPAC name is 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane.

Molecular Properties

• Compound Name: 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane
• PubChem CID: 158696383
• Molecular Formula: C95H95Br4N33O8S
• Molecular Weight: 2178.71 g/mol
• Exact Mass: 2173.45
• IUPAC Name: 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane
• SMILES: C.CNC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C(N)CO)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)NC(=O)O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12
• InChI: InChI=1S/C24H25BrN8O2.C24H24BrN7O.C23H21BrN10O2S.C23H21BrN8O3.CH4/c25-20-21(14-5-8-32(9-6-14)24(35)18(26)13-34)31-23-17(12-30-33(23)22(20)27)15-3-4-19(29-11-15)16-2-1-7-28-10-16;1-27-24(33)31-11-9-16(10-12-31)21-20(25)22(26)32-23(30-21)18(14-29-32)17-7-8-19(28-13-17)15-5-3-2-4-6-15;24-19-20(14-5-8-33(9-6-14)37(35,36)23-28-13-29-32-23)31-22-17(12-30-34(22)21(19)25)15-3-4-18(27-11-15)16-2-1-7-26-10-16;24-18-19(13-5-8-31(9-6-13)22(33)30-23(34)35)29-21-16(12-28-32(21)20(18)25)14-3-4-17(27-11-14)15-2-1-7-26-10-15;/h1-4,7,10-12,14,18,34H,5-6,8-9,13,26-27H2;2-8,13-14,16H,9-12,26H2,1H3,(H,27,33);1-4,7,10-14H,5-6,8-9,25H2,(H,28,29,32);1-4,7,10-13H,5-6,8-9,25H2,(H,30,33)(H,34,35);1H4
• InChIKey: IGZQFQGYHKWRND-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 562.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.71
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane?

The IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane (CID 158696383) is 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane.

What is the SMILES notation for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane?

The canonical SMILES for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane is C.CNC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C(N)CO)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)NC(=O)O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.

What is the InChIKey of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane?

The InChIKey is IGZQFQGYHKWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN8O2.C24H24BrN7O.C23H21BrN10O2S.C23H21BrN8O3.CH4/c25-20-21(14-5-8-32(9-6-14)24(35)18(26)13-34)31-23-17(12-30-33(23)22(20)27)15-3-4-19(29-11-15)16-2-1-7-28-10-16;1-27-24(33)31-11-9-16(10-12-31)21-20(25)22(26)32-23(30-21)18(14-29-32)17-7-8-19(28-13-17)15-5-3-2-4-6-15;24-19-20(14-5-8-33(9-6-14)37(35,36)23-28-13-29-32-23)31-22-17(12-30-34(22)21(19)25)15-3-4-18(27-11-15)16-2-1-7-26-10-16;24-18-19(13-5-8-31(9-6-13)22(33)30-23(34)35)29-21-16(12-28-32(21)20(18)25)14-3-4-17(27-11-14)15-2-1-7-26-10-15;/h1-4,7,10-12,14,18,34H,5-6,8-9,13,26-27H2;2-8,13-14,16H,9-12,26H2,1H3,(H,27,33);1-4,7,10-14H,5-6,8-9,25H2,(H,28,29,32);1-4,7,10-13H,5-6,8-9,25H2,(H,30,33)(H,34,35);1H4.

What are the key properties of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane?

2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane has a molecular weight of 2178.71 g/mol, XLogP of 13.83, 16 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide;[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]carbamic acid;6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methane is sourced from PubChem (CID 158696383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).