[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C21H23N5O — CID 118777555

IUPAC[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn2cccnc2n1)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C21H23N5O/c27-20(19-15-26-8-3-7-22-21(26)23-19)25-10-4-9-24(11-12-25)18-13-16-5-1-2-6-17(16)14-18/h1-3,5-8,15,18H,4,9-14H2
InChIKeyIWNYPMMFMZDSMS-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.04
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 118777555) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID118777555
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn2cccnc2n1)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C21H23N5O/c27-20(19-15-26-8-3-7-22-21(26)23-19)25-10-4-9-24(11-12-25)18-13-16-5-1-2-6-17(16)14-18/h1-3,5-8,15,18H,4,9-14H2
InChIKeyIWNYPMMFMZDSMS-UHFFFAOYSA-N
XLogP2.04
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 70716580
[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]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155917339
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinoxalin-6-ylmethanone
CID 91836378
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
imidazo[1,2-a]pyrimidin-2-yl(spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl)methanone
CID 164692470
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 118777555) is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is O=C(c1cn2cccnc2n1)N1CCCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is IWNYPMMFMZDSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20(19-15-26-8-3-7-22-21(26)23-19)25-10-4-9-24(11-12-25)18-13-16-5-1-2-6-17(16)14-18/h1-3,5-8,15,18H,4,9-14H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 118777555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).