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

C26H25F2N7O3 — CID 157041717

IUPACN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O
InChIInChI=1S/C26H25F2N7O3/c1-34-12-15(13-3-4-13)9-17(25(34)37)31-26-33-23-21(35(26)2)20(22(27)28)18(11-30-23)38-16-7-8-29-19(10-16)32-24(36)14-5-6-14/h7-14,22H,3-6H2,1-2H3,(H,29,32,36)(H,30,31,33)
InChIKeyIZQPRHFKSFLUPF-UHFFFAOYSA-N
MW521.53 g/mol
LogP4.76
Rot. Bonds8

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

N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157041717) has the molecular formula C26H25F2N7O3 and a molecular weight of 521.53 g/mol. Its IUPAC name is N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157041717
Molecular FormulaC26H25F2N7O3
Molecular Weight521.53 g/mol
Exact Mass521.20
IUPAC NameN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O
InChIInChI=1S/C26H25F2N7O3/c1-34-12-15(13-3-4-13)9-17(25(34)37)31-26-33-23-21(35(26)2)20(22(27)28)18(11-30-23)38-16-7-8-29-19(10-16)32-24(36)14-5-6-14/h7-14,22H,3-6H2,1-2H3,(H,29,32,36)(H,30,31,33)
InChIKeyIZQPRHFKSFLUPF-UHFFFAOYSA-N
XLogP4.76
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-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-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157041717) is N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O.
What is the InChIKey of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IZQPRHFKSFLUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O3/c1-34-12-15(13-3-4-13)9-17(25(34)37)31-26-33-23-21(35(26)2)20(22(27)28)18(11-30-23)38-16-7-8-29-19(10-16)32-24(36)14-5-6-14/h7-14,22H,3-6H2,1-2H3,(H,29,32,36)(H,30,31,33).
What are the key properties of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 521.53 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157041717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).