tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine

C64H80ClN21O13 — CID 159923167

About tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine

tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine (PubChem CID 159923167) has the molecular formula C64H80ClN21O13 and a molecular weight of 1386.93 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine
• PubChem CID: 159923167
• Molecular Formula: C64H80ClN21O13
• Molecular Weight: 1386.93 g/mol
• Exact Mass: 1385.59
• IUPAC Name: tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC(O)C3)cnn12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC(O)C3)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC(O)C3)c2n1
• InChI: InChI=1S/C23H29N7O5.C18H21N7O3.C17H22ClN5O4.C6H8N2O/c1-23(2,3)35-22(33)29(4)18-11-17(27-16-7-6-8-24-21(16)34-5)28-19-15(12-25-30(18)19)20(32)26-13-9-14(31)10-13;1-19-15-8-14(23-13-4-3-5-20-18(13)28-2)24-16-12(9-21-25(15)16)17(27)22-10-6-11(26)7-10;1-17(2,3)27-16(26)22(4)13-7-12(18)21-14-11(8-19-23(13)14)15(25)20-9-5-10(24)6-9;1-9-6-5(7)3-2-4-8-6/h6-8,11-14,31H,9-10H2,1-5H3,(H,26,32)(H,27,28);3-5,8-11,19,26H,6-7H2,1-2H3,(H,22,27)(H,23,24);7-10,24H,5-6H2,1-4H3,(H,20,25);2-4H,7H2,1H3
• InChIKey: NYRDFJLVYUIVTE-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 426.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1386.93
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine (CID 159923167) is tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine.

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

The canonical SMILES for tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC(O)C3)cnn12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC(O)C3)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC(O)C3)c2n1.

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

The InChIKey is NYRDFJLVYUIVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O5.C18H21N7O3.C17H22ClN5O4.C6H8N2O/c1-23(2,3)35-22(33)29(4)18-11-17(27-16-7-6-8-24-21(16)34-5)28-19-15(12-25-30(18)19)20(32)26-13-9-14(31)10-13;1-19-15-8-14(23-13-4-3-5-20-18(13)28-2)24-16-12(9-21-25(15)16)17(27)22-10-6-11(26)7-10;1-17(2,3)27-16(26)22(4)13-7-12(18)21-14-11(8-19-23(13)14)15(25)20-9-5-10(24)6-9;1-9-6-5(7)3-2-4-8-6/h6-8,11-14,31H,9-10H2,1-5H3,(H,26,32)(H,27,28);3-5,8-11,19,26H,6-7H2,1-2H3,(H,22,27)(H,23,24);7-10,24H,5-6H2,1-4H3,(H,20,25);2-4H,7H2,1H3.

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

tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine has a molecular weight of 1386.93 g/mol, XLogP of 6.35, 16 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-(3-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine is sourced from PubChem (CID 159923167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).