tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine

C63H76ClN19O10 — CID 158731048

About tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine

tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine (PubChem CID 158731048) has the molecular formula C63H76ClN19O10 and a molecular weight of 1294.88 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine
• PubChem CID: 158731048
• Molecular Formula: C63H76ClN19O10
• Molecular Weight: 1294.88 g/mol
• Exact Mass: 1293.57
• IUPAC Name: tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CC3)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC3)c2n1
• InChI: InChI=1S/C23H28N6O4.C18H20N6O2.C16H20ClN5O3.C6H8N2O/c1-23(2,3)33-22(31)28(4)19-12-18(26-16-7-6-10-24-21(16)32-5)27-20-15(13-25-29(19)20)17(30)11-14-8-9-14;1-19-16-9-15(22-13-4-3-7-20-18(13)26-2)23-17-12(10-21-24(16)17)14(25)8-11-5-6-11;1-16(2,3)25-15(24)21(4)12-7-11(17)20-13-10(8-18-22(12)13)14(23)19-9-5-6-9;1-9-6-5(7)3-2-4-8-6/h6-7,10,12-14H,8-9,11H2,1-5H3,(H,26,27);3-4,7,9-11,19H,5-6,8H2,1-2H3,(H,22,23);7-9H,5-6H2,1-4H3,(H,19,23);2-4H,7H2,1H3
• InChIKey: ILCKEXBZHGPJPN-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 341.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.88
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine?

The IUPAC name of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine (CID 158731048) is tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine.

What is the SMILES notation for tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine?

The canonical SMILES for tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CC3)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC3)c2n1.

What is the InChIKey of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine?

The InChIKey is ILCKEXBZHGPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4.C18H20N6O2.C16H20ClN5O3.C6H8N2O/c1-23(2,3)33-22(31)28(4)19-12-18(26-16-7-6-10-24-21(16)32-5)27-20-15(13-25-29(19)20)17(30)11-14-8-9-14;1-19-16-9-15(22-13-4-3-7-20-18(13)26-2)23-17-12(10-21-24(16)17)14(25)8-11-5-6-11;1-16(2,3)25-15(24)21(4)12-7-11(17)20-13-10(8-18-22(12)13)14(23)19-9-5-6-9;1-9-6-5(7)3-2-4-8-6/h6-7,10,12-14H,8-9,11H2,1-5H3,(H,26,27);3-4,7,9-11,19H,5-6,8H2,1-2H3,(H,22,23);7-9H,5-6H2,1-4H3,(H,19,23);2-4H,7H2,1H3.

What are the key properties of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine?

tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine has a molecular weight of 1294.88 g/mol, XLogP of 10.45, 18 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine is sourced from PubChem (CID 158731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).