[3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate

C29H38N8O4 — CID 167293947

About [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate

[3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate (PubChem CID 167293947) has the molecular formula C29H38N8O4 and a molecular weight of 562.68 g/mol. Its IUPAC name is [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate.

Molecular Properties

• Compound Name: [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate
• PubChem CID: 167293947
• Molecular Formula: C29H38N8O4
• Molecular Weight: 562.68 g/mol
• Exact Mass: 562.30
• IUPAC Name: [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate
• SMILES: Cn1nc(COC2CCCCOC2)c2nccc(Nc3cc(C4CCC(OC(=O)NCC5C=CC=NC5)C4)[nH]n3)c21
• InChI: InChI=1S/C29H38N8O4/c1-37-28-23(9-11-31-27(28)25(36-37)18-40-22-6-2-3-12-39-17-22)33-26-14-24(34-35-26)20-7-8-21(13-20)41-29(38)32-16-19-5-4-10-30-15-19/h4-5,9-11,14,19-22H,2-3,6-8,12-13,15-18H2,1H3,(H,32,38)(H2,31,33,34,35)
• InChIKey: FQMPCDVXSTZBEC-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 140.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.68
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate?

The IUPAC name of [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate (CID 167293947) is [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate.

What is the SMILES notation for [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate?

The canonical SMILES for [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate is Cn1nc(COC2CCCCOC2)c2nccc(Nc3cc(C4CCC(OC(=O)NCC5C=CC=NC5)C4)[nH]n3)c21.

What is the InChIKey of [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate?

The InChIKey is FQMPCDVXSTZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O4/c1-37-28-23(9-11-31-27(28)25(36-37)18-40-22-6-2-3-12-39-17-22)33-26-14-24(34-35-26)20-7-8-21(13-20)41-29(38)32-16-19-5-4-10-30-15-19/h4-5,9-11,14,19-22H,2-3,6-8,12-13,15-18H2,1H3,(H,32,38)(H2,31,33,34,35).

What are the key properties of [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate?

[3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate has a molecular weight of 562.68 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[[1-methyl-3-(oxepan-3-yloxymethyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,3-dihydropyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 167293947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).