N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide

C19H17ClN4O — CID 176500437

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C19H17ClN4O/c20-14-3-1-2-13(9-14)19(6-7-19)23-18(25)12-8-16-17(21-10-12)24(11-22-16)15-4-5-15/h1-3,8-11,15H,4-7H2,(H,23,25)
InChIKeyAQCBMMQYWDDXCB-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide

N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176500437) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176500437
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C19H17ClN4O/c20-14-3-1-2-13(9-14)19(6-7-19)23-18(25)12-8-16-17(21-10-12)24(11-22-16)15-4-5-15/h1-3,8-11,15H,4-7H2,(H,23,25)
InChIKeyAQCBMMQYWDDXCB-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide (CID 176500437) is N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1(c2cccc(Cl)c2)CC1)c1cnc2c(c1)ncn2C1CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is AQCBMMQYWDDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-14-3-1-2-13(9-14)19(6-7-19)23-18(25)12-8-16-17(21-10-12)24(11-22-16)15-4-5-15/h1-3,8-11,15H,4-7H2,(H,23,25).
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176500437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).