(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one

C20H22N4O — CID 95054928

IUPAC(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESCc1cccc2nc(CN3CCNC(=O)C[C@H]3c3ccccc3)cn12
InChIInChI=1S/C20H22N4O/c1-15-6-5-9-19-22-17(14-24(15)19)13-23-11-10-21-20(25)12-18(23)16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyFKCCWDUQRBXJRS-SFHVURJKSA-N
MW334.42 g/mol
LogP2.71
Rot. Bonds3

About (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one

(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 95054928) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID95054928
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESCc1cccc2nc(CN3CCNC(=O)C[C@H]3c3ccccc3)cn12
InChIInChI=1S/C20H22N4O/c1-15-6-5-9-19-22-17(14-24(15)19)13-23-11-10-21-20(25)12-18(23)16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyFKCCWDUQRBXJRS-SFHVURJKSA-N
XLogP2.71
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one (CID 95054928) is (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one is Cc1cccc2nc(CN3CCNC(=O)C[C@H]3c3ccccc3)cn12.
What is the InChIKey of (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is FKCCWDUQRBXJRS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-6-5-9-19-22-17(14-24(15)19)13-23-11-10-21-20(25)12-18(23)16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 334.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 95054928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).