1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone

C12H18N4O2 — CID 95896875

IUPAC1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESO=C([C@H]1NCCc2[nH]cnc21)N1CCCOCC1
InChIInChI=1S/C12H18N4O2/c17-12(16-4-1-6-18-7-5-16)11-10-9(2-3-13-11)14-8-15-10/h8,11,13H,1-7H2,(H,14,15)/t11-/m0/s1
InChIKeyDMPCAXLQCYGIFO-NSHDSACASA-N
MW250.30 g/mol
LogP-0.15
Rot. Bonds1

About 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone

1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone (PubChem CID 95896875) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone.

Molecular Properties

Compound Name1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
PubChem CID95896875
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESO=C([C@H]1NCCc2[nH]cnc21)N1CCCOCC1
InChIInChI=1S/C12H18N4O2/c17-12(16-4-1-6-18-7-5-16)11-10-9(2-3-13-11)14-8-15-10/h8,11,13H,1-7H2,(H,14,15)/t11-/m0/s1
InChIKeyDMPCAXLQCYGIFO-NSHDSACASA-N
XLogP-0.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone with MolForge

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
CID 154894348
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
CID 70751373
2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 95872297
(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95893846
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 70766706
2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97134571
(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95881021
morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 100660021
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
N-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70773988
N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131908303
(4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95873248

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The IUPAC name of 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone (CID 95896875) is 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone.
What is the SMILES notation for 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The canonical SMILES for 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone is O=C([C@H]1NCCc2[nH]cnc21)N1CCCOCC1.
What is the InChIKey of 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The InChIKey is DMPCAXLQCYGIFO-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(16-4-1-6-18-7-5-16)11-10-9(2-3-13-11)14-8-15-10/h8,11,13H,1-7H2,(H,14,15)/t11-/m0/s1.
What are the key properties of 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone is sourced from PubChem (CID 95896875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).