[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone

C23H26N4O — CID 70716580

IUPAC[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccc2nc(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)cn2c1
InChIInChI=1S/C23H26N4O/c1-17-7-8-22-24-21(16-27(22)15-17)23(28)26-10-4-9-25(11-12-26)20-13-18-5-2-3-6-19(18)14-20/h2-3,5-8,15-16,20H,4,9-14H2,1H3
InChIKeyVQYTXSSFNWJRGC-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.96
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 70716580) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID70716580
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccc2nc(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)cn2c1
InChIInChI=1S/C23H26N4O/c1-17-7-8-22-24-21(16-27(22)15-17)23(28)26-10-4-9-25(11-12-26)20-13-18-5-2-3-6-19(18)14-20/h2-3,5-8,15-16,20H,4,9-14H2,1H3
InChIKeyVQYTXSSFNWJRGC-UHFFFAOYSA-N
XLogP2.96
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 118777555
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155917339
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167937529
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
(6-methylimidazo[1,2-a]pyridin-2-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 110103325
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
CID 70774943
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinoxalin-6-ylmethanone
CID 91836378
1-[4-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 70743799
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
CID 131928639
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 70716580) is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccc2nc(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)cn2c1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is VQYTXSSFNWJRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-7-8-22-24-21(16-27(22)15-17)23(28)26-10-4-9-25(11-12-26)20-13-18-5-2-3-6-19(18)14-20/h2-3,5-8,15-16,20H,4,9-14H2,1H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 70716580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).