N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C23H25N7O2 — CID 134456843

IUPACN-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1cc(-c2nn(C)cc2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12
InChIInChI=1S/C23H25N7O2/c1-12-11-30(3)29-20(12)15-7-8-16(18(9-15)32-4)26-17-10-19(28-23(31)14-5-6-14)27-22-21(17)24-13(2)25-22/h7-11,14H,5-6H2,1-4H3,(H3,24,25,26,27,28,31)
InChIKeyIHGNXQOLLFNQAF-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.08
Rot. Bonds6

About N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456843) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456843
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1cc(-c2nn(C)cc2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12
InChIInChI=1S/C23H25N7O2/c1-12-11-30(3)29-20(12)15-7-8-16(18(9-15)32-4)26-17-10-19(28-23(31)14-5-6-14)27-22-21(17)24-13(2)25-22/h7-11,14H,5-6H2,1-4H3,(H3,24,25,26,27,28,31)
InChIKeyIHGNXQOLLFNQAF-UHFFFAOYSA-N
XLogP4.08
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456843) is N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1cc(-c2nn(C)cc2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12.
What is the InChIKey of N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is IHGNXQOLLFNQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-12-11-30(3)29-20(12)15-7-8-16(18(9-15)32-4)26-17-10-19(28-23(31)14-5-6-14)27-22-21(17)24-13(2)25-22/h7-11,14H,5-6H2,1-4H3,(H3,24,25,26,27,28,31).
What are the key properties of N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).