N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C25H24ClN7O3 — CID 157042474

IUPACN-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C25H24ClN7O3/c1-32-12-15(13-3-4-13)9-17(24(32)35)29-25-31-22-21(33(25)2)20(26)18(11-28-22)36-16-7-8-27-19(10-16)30-23(34)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,27,30,34)(H,28,29,31)
InChIKeyXOESEHQVLFXRPL-UHFFFAOYSA-N
MW505.97 g/mol
LogP4.48
Rot. Bonds7

About N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157042474) has the molecular formula C25H24ClN7O3 and a molecular weight of 505.97 g/mol. Its IUPAC name is N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157042474
Molecular FormulaC25H24ClN7O3
Molecular Weight505.97 g/mol
Exact Mass505.16
IUPAC NameN-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C25H24ClN7O3/c1-32-12-15(13-3-4-13)9-17(24(32)35)29-25-31-22-21(33(25)2)20(26)18(11-28-22)36-16-7-8-27-19(10-16)30-23(34)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,27,30,34)(H,28,29,31)
InChIKeyXOESEHQVLFXRPL-UHFFFAOYSA-N
XLogP4.48
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.97
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157042474) is N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(Cl)c3n2C)c1=O.
What is the InChIKey of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is XOESEHQVLFXRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O3/c1-32-12-15(13-3-4-13)9-17(24(32)35)29-25-31-22-21(33(25)2)20(26)18(11-28-22)36-16-7-8-27-19(10-16)30-23(34)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,27,30,34)(H,28,29,31).
What are the key properties of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 505.97 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157042474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).