tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

C119H119Cl5FN33O6 — CID 162040700

About tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (PubChem CID 162040700) has the molecular formula C119H119Cl5FN33O6 and a molecular weight of 2303.75 g/mol. Its IUPAC name is tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
• PubChem CID: 162040700
• Molecular Formula: C119H119Cl5FN33O6
• Molecular Weight: 2303.75 g/mol
• Exact Mass: 2299.84
• IUPAC Name: tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
• SMILES: CCN1CCN(c2ccc(-c3cc(NCc4ccc(C)cc4F)n4nccc4n3)cn2)CC1.CCN1CCN(c2ncc(-c3cc(NCc4ccc(C)cc4Cl)n4nccc4n3)cn2)CC1.Cc1ccc(CN(C(=O)OC(C)(C)C)c2cc(-c3ccc(C#N)nc3)nc3ccnn23)c(Cl)c1.Cc1ccc(CNc2cc(-c3ccc(C(=O)N4CCCC4C(N)=O)nc3)nc3ccnn23)c(Cl)c1.Cc1ccc(CNc2cc(-c3ccc(C(=O)O)nc3)nc3ccnn23)c(Cl)c1.Cl
• InChI: InChI=1S/C25H24ClN7O2.C25H23ClN6O2.C25H28FN7.C24H27ClN8.C20H16ClN5O2.ClH/c1-15-4-5-16(18(26)11-15)13-29-23-12-20(31-22-8-9-30-33(22)23)17-6-7-19(28-14-17)25(35)32-10-2-3-21(32)24(27)34;1-16-5-6-18(20(26)11-16)15-31(24(33)34-25(2,3)4)23-12-21(30-22-9-10-29-32(22)23)17-7-8-19(13-27)28-14-17;1-3-31-10-12-32(13-11-31)23-7-6-20(17-27-23)22-15-25(33-24(30-22)8-9-29-33)28-16-19-5-4-18(2)14-21(19)26;1-3-31-8-10-32(11-9-31)24-27-15-19(16-28-24)21-13-23(33-22(30-21)6-7-29-33)26-14-18-5-4-17(2)12-20(18)25;1-12-2-3-13(15(21)8-12)10-23-19-9-17(25-18-6-7-24-26(18)19)14-4-5-16(20(27)28)22-11-14;/h4-9,11-12,14,21,29H,2-3,10,13H2,1H3,(H2,27,34);5-12,14H,15H2,1-4H3;4-9,14-15,17,28H,3,10-13,16H2,1-2H3;4-7,12-13,15-16,26H,3,8-11,14H2,1-2H3;2-9,11,23H,10H2,1H3,(H,27,28);1H
• InChIKey: GJCYCIKWPIRNAM-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 443.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.75
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?

The IUPAC name of tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (CID 162040700) is tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

What is the SMILES notation for tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?

The canonical SMILES for tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is CCN1CCN(c2ccc(-c3cc(NCc4ccc(C)cc4F)n4nccc4n3)cn2)CC1.CCN1CCN(c2ncc(-c3cc(NCc4ccc(C)cc4Cl)n4nccc4n3)cn2)CC1.Cc1ccc(CN(C(=O)OC(C)(C)C)c2cc(-c3ccc(C#N)nc3)nc3ccnn23)c(Cl)c1.Cc1ccc(CNc2cc(-c3ccc(C(=O)N4CCCC4C(N)=O)nc3)nc3ccnn23)c(Cl)c1.Cc1ccc(CNc2cc(-c3ccc(C(=O)O)nc3)nc3ccnn23)c(Cl)c1.Cl.

What is the InChIKey of tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?

The InChIKey is GJCYCIKWPIRNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O2.C25H23ClN6O2.C25H28FN7.C24H27ClN8.C20H16ClN5O2.ClH/c1-15-4-5-16(18(26)11-15)13-29-23-12-20(31-22-8-9-30-33(22)23)17-6-7-19(28-14-17)25(35)32-10-2-3-21(32)24(27)34;1-16-5-6-18(20(26)11-16)15-31(24(33)34-25(2,3)4)23-12-21(30-22-9-10-29-32(22)23)17-7-8-19(13-27)28-14-17;1-3-31-10-12-32(13-11-31)23-7-6-20(17-27-23)22-15-25(33-24(30-22)8-9-29-33)28-16-19-5-4-18(2)14-21(19)26;1-3-31-8-10-32(11-9-31)24-27-15-19(16-28-24)21-13-23(33-22(30-21)6-7-29-33)26-14-18-5-4-17(2)12-20(18)25;1-12-2-3-13(15(21)8-12)10-23-19-9-17(25-18-6-7-24-26(18)19)14-4-5-16(20(27)28)22-11-14;/h4-9,11-12,14,21,29H,2-3,10,13H2,1H3,(H2,27,34);5-12,14H,15H2,1-4H3;4-9,14-15,17,28H,3,10-13,16H2,1-2H3;4-7,12-13,15-16,26H,3,8-11,14H2,1-2H3;2-9,11,23H,10H2,1H3,(H,27,28);1H.

What are the key properties of tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?

tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride has a molecular weight of 2303.75 g/mol, XLogP of 21.40, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is sourced from PubChem (CID 162040700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).