2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid

C100H117Cl4FN40O8 — CID 158277519

About 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid

2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 158277519) has the molecular formula C100H117Cl4FN40O8 and a molecular weight of 2168.12 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid
• PubChem CID: 158277519
• Molecular Formula: C100H117Cl4FN40O8
• Molecular Weight: 2168.12 g/mol
• Exact Mass: 2164.87
• IUPAC Name: 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid
• SMILES: CN(C)C1CN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1.COC1CCN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1.NCC1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)O)CC1
• InChI: InChI=1S/C22H28ClN9O.C22H27ClN8O2.C20H23ClN8O.C18H21ClN8O.C18H18FN7O3/c1-29(2)16-12-31(13-16)15-4-7-30(8-5-15)18-3-6-25-10-17(18)27-22(33)19-20(24)28-32-11-14(23)9-26-21(19)32;1-33-16-5-9-30(13-16)15-3-7-29(8-4-15)18-2-6-25-11-17(18)27-22(32)19-20(24)28-31-12-14(23)10-26-21(19)31;21-13-10-24-19-17(18(22)26-29(19)12-13)20(30)25-15-11-23-5-2-16(15)28-8-3-14(4-9-28)27-6-1-7-27;19-12-8-23-17-15(16(21)25-27(17)10-12)18(28)24-13-9-22-4-1-14(13)26-5-2-11(7-20)3-6-26;19-11-7-22-16-14(15(20)24-26(16)9-11)17(27)23-12-8-21-4-1-13(12)25-5-2-10(3-6-25)18(28)29/h3,6,9-11,15-16H,4-5,7-8,12-13H2,1-2H3,(H2,24,28)(H,27,33);2,6,10-12,15-16H,3-5,7-9,13H2,1H3,(H2,24,28)(H,27,32);2,5,10-12,14H,1,3-4,6-9H2,(H2,22,26)(H,25,30);1,4,8-11H,2-3,5-7,20H2,(H2,21,25)(H,24,28);1,4,7-10H,2-3,5-6H2,(H2,20,24)(H,23,27)(H,28,29)
• InChIKey: GJUGQPGKIUPANO-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 592.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.12
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid?

The IUPAC name of 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid (CID 158277519) is 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid?

The canonical SMILES for 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid is CN(C)C1CN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1.COC1CCN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1.NCC1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)O)CC1.

What is the InChIKey of 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid?

The InChIKey is GJUGQPGKIUPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN9O.C22H27ClN8O2.C20H23ClN8O.C18H21ClN8O.C18H18FN7O3/c1-29(2)16-12-31(13-16)15-4-7-30(8-5-15)18-3-6-25-10-17(18)27-22(33)19-20(24)28-32-11-14(23)9-26-21(19)32;1-33-16-5-9-30(13-16)15-3-7-29(8-4-15)18-2-6-25-11-17(18)27-22(32)19-20(24)28-31-12-14(23)10-26-21(19)31;21-13-10-24-19-17(18(22)26-29(19)12-13)20(30)25-15-11-23-5-2-16(15)28-8-3-14(4-9-28)27-6-1-7-27;19-12-8-23-17-15(16(21)25-27(17)10-12)18(28)24-13-9-22-4-1-14(13)26-5-2-11(7-20)3-6-26;19-11-7-22-16-14(15(20)24-26(16)9-11)17(27)23-12-8-21-4-1-13(12)25-5-2-10(3-6-25)18(28)29/h3,6,9-11,15-16H,4-5,7-8,12-13H2,1-2H3,(H2,24,28)(H,27,33);2,6,10-12,15-16H,3-5,7-9,13H2,1H3,(H2,24,28)(H,27,32);2,5,10-12,14H,1,3-4,6-9H2,(H2,22,26)(H,25,30);1,4,8-11H,2-3,5-7,20H2,(H2,21,25)(H,24,28);1,4,7-10H,2-3,5-6H2,(H2,20,24)(H,23,27)(H,28,29).

What are the key properties of 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid?

2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 2168.12 g/mol, XLogP of 9.60, 22 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)azetidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 158277519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).