(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

C21H26N6O — CID 176505929

IUPAC(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESCC(C)n1cnc2cc(C(=O)N3CCCN(Cc4ccccn4)CC3)cnc21
InChIInChI=1S/C21H26N6O/c1-16(2)27-15-24-19-12-17(13-23-20(19)27)21(28)26-9-5-8-25(10-11-26)14-18-6-3-4-7-22-18/h3-4,6-7,12-13,15-16H,5,8-11,14H2,1-2H3
InChIKeyMWQAXFSRIDPPHD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.76
Rot. Bonds4

About (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 176505929) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID176505929
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESCC(C)n1cnc2cc(C(=O)N3CCCN(Cc4ccccn4)CC3)cnc21
InChIInChI=1S/C21H26N6O/c1-16(2)27-15-24-19-12-17(13-23-20(19)27)21(28)26-9-5-8-25(10-11-26)14-18-6-3-4-7-22-18/h3-4,6-7,12-13,15-16H,5,8-11,14H2,1-2H3
InChIKeyMWQAXFSRIDPPHD-UHFFFAOYSA-N
XLogP2.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
methyl 6-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate
CID 3793031
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
(3S)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158470
(3R)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158473
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate
CID 176504456
2-propan-2-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one
CID 51262953
1-benzothiophen-2-yl-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3853391
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23739584

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 176505929) is (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone is CC(C)n1cnc2cc(C(=O)N3CCCN(Cc4ccccn4)CC3)cnc21.
What is the InChIKey of (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MWQAXFSRIDPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16(2)27-15-24-19-12-17(13-23-20(19)27)21(28)26-9-5-8-25(10-11-26)14-18-6-3-4-7-22-18/h3-4,6-7,12-13,15-16H,5,8-11,14H2,1-2H3.
What are the key properties of (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 176505929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).