3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C24H26N6O3 — CID 59742912

IUPAC3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC3C)cnc21
InChIInChI=1S/C24H26N6O3/c1-16-6-4-9-29(16)23(32)19-13-20-21(26-15-19)30(10-5-11-33-2)24(27-20)28-22(31)18-8-3-7-17(12-18)14-25/h3,7-8,12-13,15-16H,4-6,9-11H2,1-2H3,(H,27,28,31)
InChIKeyVMQQKHUVRUWGEB-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.22
Rot. Bonds7

About 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 59742912) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID59742912
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC3C)cnc21
InChIInChI=1S/C24H26N6O3/c1-16-6-4-9-29(16)23(32)19-13-20-21(26-15-19)30(10-5-11-33-2)24(27-20)28-22(31)18-8-3-7-17(12-18)14-25/h3,7-8,12-13,15-16H,4-6,9-11H2,1-2H3,(H,27,28,31)
InChIKeyVMQQKHUVRUWGEB-UHFFFAOYSA-N
XLogP3.22
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318294
3-cyano-N-[3-(3-methoxypropyl)-6-[(3R)-3-methoxypyrrolidine-1-carbonyl]imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742963
3-cyano-N-[6-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 69105372
3-ethynyl-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 15950359
3-amino-N-[6-(3-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318590
3-amino-N-[6-[(3S)-3-methoxypiperidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318198
3-amino-N-[6-(3,5-dimethylpiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319093
3-amino-N-[6-(4-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319496
2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 59742928
3-cyano-N-[3-[2-(methanesulfonamido)ethyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742994
3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742876
3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 143413873

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 59742912) is 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC3C)cnc21.
What is the InChIKey of 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is VMQQKHUVRUWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-6-4-9-29(16)23(32)19-13-20-21(26-15-19)30(10-5-11-33-2)24(27-20)28-22(31)18-8-3-7-17(12-18)14-25/h3,7-8,12-13,15-16H,4-6,9-11H2,1-2H3,(H,27,28,31).
What are the key properties of 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 59742912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).