N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide

C27H34N8O4 — CID 157042131

About N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide

N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide (PubChem CID 157042131) has the molecular formula C27H34N8O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide.

Molecular Properties

• Compound Name: N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide
• PubChem CID: 157042131
• Molecular Formula: C27H34N8O4
• Molecular Weight: 534.62 g/mol
• Exact Mass: 534.27
• IUPAC Name: N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide
• SMILES: COCCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n([C@@H]5CCOC5)n4)n(C)c3c2)ccn1
• InChI: InChI=1S/C27H34N8O4/c1-27(2,3)21-14-23(33-35(21)17-7-11-38-16-17)31-26-32-25-20(34(26)4)12-19(15-29-25)39-18-6-9-28-22(13-18)30-24(36)8-10-37-5/h6,9,12-15,17H,7-8,10-11,16H2,1-5H3,(H,28,30,36)(H,29,31,32,33)/t17-/m1/s1
• InChIKey: GOYUEDGNSCHWRV-QGZVFWFLSA-N
• XLogP: 4.33
• TPSA: 130.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.62
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide?

The IUPAC name of N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide (CID 157042131) is N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide.

What is the SMILES notation for N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide?

The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide is COCCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n([C@@H]5CCOC5)n4)n(C)c3c2)ccn1.

What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide?

The InChIKey is GOYUEDGNSCHWRV-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H34N8O4/c1-27(2,3)21-14-23(33-35(21)17-7-11-38-16-17)31-26-32-25-20(34(26)4)12-19(15-29-25)39-18-6-9-28-22(13-18)30-24(36)8-10-37-5/h6,9,12-15,17H,7-8,10-11,16H2,1-5H3,(H,28,30,36)(H,29,31,32,33)/t17-/m1/s1.

What are the key properties of N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide?

N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide has a molecular weight of 534.62 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-methoxypropanamide is sourced from PubChem (CID 157042131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).