[(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C25H33N7O4 — CID 167293751

About [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167293751) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 167293751
• Molecular Formula: C25H33N7O4
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.26
• IUPAC Name: [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cn1nc(OCC2CCOC2)c2nccc(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)C4)[nH]n3)c21
• InChI: InChI=1S/C25H33N7O4/c1-25(7-8-25)28-24(33)36-17-4-3-16(11-17)19-12-20(30-29-19)27-18-5-9-26-21-22(18)32(2)31-23(21)35-14-15-6-10-34-13-15/h5,9,12,15-17H,3-4,6-8,10-11,13-14H2,1-2H3,(H,28,33)(H2,26,27,29,30)/t15?,16-,17+/m0/s1
• InChIKey: QSTZVXWDUMHIDY-LRUHZDSUSA-N
• XLogP: 3.77
• TPSA: 128.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167293751) is [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cn1nc(OCC2CCOC2)c2nccc(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)C4)[nH]n3)c21.

What is the InChIKey of [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is QSTZVXWDUMHIDY-LRUHZDSUSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-25(7-8-25)28-24(33)36-17-4-3-16(11-17)19-12-20(30-29-19)27-18-5-9-26-21-22(18)32(2)31-23(21)35-14-15-6-10-34-13-15/h5,9,12,15-17H,3-4,6-8,10-11,13-14H2,1-2H3,(H,28,33)(H2,26,27,29,30)/t15?,16-,17+/m0/s1.

What are the key properties of [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 495.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167293751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).