[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate

C37H40N8O3 — CID 71143879

IUPAC[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate
SMILESCC(C)NC(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(OC(N)=O)CCC6)cc5)c4n3)c2)CC1
InChIInChI=1S/C37H40N8O3/c1-23(2)41-35(46)24-15-20-44(21-16-24)28-7-3-6-25(22-28)30-13-14-31-34(42-30)45(33(43-31)29-8-4-19-40-32(29)38)27-11-9-26(10-12-27)37(17-5-18-37)48-36(39)47/h3-4,6-14,19,22-24H,5,15-18,20-21H2,1-2H3,(H2,38,40)(H2,39,47)(H,41,46)
InChIKeyGFONLRWFMXKMHO-UHFFFAOYSA-N
MW644.78 g/mol
LogP5.95
Rot. Bonds8

About [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate

[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate (PubChem CID 71143879) has the molecular formula C37H40N8O3 and a molecular weight of 644.78 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate.

Molecular Properties

Compound Name[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate
PubChem CID71143879
Molecular FormulaC37H40N8O3
Molecular Weight644.78 g/mol
Exact Mass644.32
IUPAC Name[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate
SMILESCC(C)NC(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(OC(N)=O)CCC6)cc5)c4n3)c2)CC1
InChIInChI=1S/C37H40N8O3/c1-23(2)41-35(46)24-15-20-44(21-16-24)28-7-3-6-25(22-28)30-13-14-31-34(42-30)45(33(43-31)29-8-4-19-40-32(29)38)27-11-9-26(10-12-27)37(17-5-18-37)48-36(39)47/h3-4,6-14,19,22-24H,5,15-18,20-21H2,1-2H3,(H2,38,40)(H2,39,47)(H,41,46)
InChIKeyGFONLRWFMXKMHO-UHFFFAOYSA-N
XLogP5.95
TPSA154.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate?
The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate (CID 71143879) is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate.
What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate?
The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate is CC(C)NC(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(OC(N)=O)CCC6)cc5)c4n3)c2)CC1.
What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate?
The InChIKey is GFONLRWFMXKMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N8O3/c1-23(2)41-35(46)24-15-20-44(21-16-24)28-7-3-6-25(22-28)30-13-14-31-34(42-30)45(33(43-31)29-8-4-19-40-32(29)38)27-11-9-26(10-12-27)37(17-5-18-37)48-36(39)47/h3-4,6-14,19,22-24H,5,15-18,20-21H2,1-2H3,(H2,38,40)(H2,39,47)(H,41,46).
What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate?
[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate has a molecular weight of 644.78 g/mol, XLogP of 5.95, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[4-(propan-2-ylcarbamoyl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl] carbamate is sourced from PubChem (CID 71143879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).