N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C27H30N8O3 — CID 157041606

About N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157041606) has the molecular formula C27H30N8O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 157041606
• Molecular Formula: C27H30N8O3
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.24
• IUPAC Name: N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
• SMILES: Cn1c(Nc2cn(C3CCC3)c([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
• InChI: InChI=1S/C27H30N8O3/c1-34-21-11-20(38-19-7-9-28-22(12-19)31-26(36)16-5-6-16)13-29-24(21)33-27(34)32-23-14-35(18-3-2-4-18)25(30-23)17-8-10-37-15-17/h7,9,11-14,16-18H,2-6,8,10,15H2,1H3,(H,28,31,36)(H,29,32,33)/t17-/m0/s1
• InChIKey: HEHCPYVTWNRNKT-KRWDZBQOSA-N
• XLogP: 4.67
• TPSA: 121.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157041606) is N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1c(Nc2cn(C3CCC3)c([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.

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

The InChIKey is HEHCPYVTWNRNKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H30N8O3/c1-34-21-11-20(38-19-7-9-28-22(12-19)31-26(36)16-5-6-16)13-29-24(21)33-27(34)32-23-14-35(18-3-2-4-18)25(30-23)17-8-10-37-15-17/h7,9,11-14,16-18H,2-6,8,10,15H2,1H3,(H,28,31,36)(H,29,32,33)/t17-/m0/s1.

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

N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 514.59 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157041606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).