(3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one

C17H26N4O — CID 95455835

IUPAC(3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1ccc(N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)nn1
InChIInChI=1S/C17H26N4O/c1-12(2)15-11-20(16-7-4-13(3)18-19-16)9-8-17(22)21(15)10-14-5-6-14/h4,7,12,14-15H,5-6,8-11H2,1-3H3/t15-/m0/s1
InChIKeyURMFMKCIJYZEBM-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.26
Rot. Bonds4

About (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one

(3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 95455835) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID95455835
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1ccc(N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)nn1
InChIInChI=1S/C17H26N4O/c1-12(2)15-11-20(16-7-4-13(3)18-19-16)9-8-17(22)21(15)10-14-5-6-14/h4,7,12,14-15H,5-6,8-11H2,1-3H3/t15-/m0/s1
InChIKeyURMFMKCIJYZEBM-HNNXBMFYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one with MolForge

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Related Compounds

(3S)-4-(cyclopropylmethyl)-1-(4-methoxypyrimidin-2-yl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95476404
4-(cyclopropylmethyl)-1-(4-methoxypyrimidin-2-yl)-3-propan-2-yl-1,4-diazepan-5-one
CID 56864854
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid
CID 56866045
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepan-5-one
CID 56870343
(3S)-4-(cyclopropylmethyl)-1-[(2,3-difluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 95502484
(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 95525179
(4aS,8aR)-1-[2-(5-methylfuran-2-yl)ethyl]-6-(6-methylpyridazin-3-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56902305

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one (CID 95455835) is (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one is Cc1ccc(N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)nn1.
What is the InChIKey of (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is URMFMKCIJYZEBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12(2)15-11-20(16-7-4-13(3)18-19-16)9-8-17(22)21(15)10-14-5-6-14/h4,7,12,14-15H,5-6,8-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one?
(3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 302.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclopropylmethyl)-1-(6-methylpyridazin-3-yl)-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 95455835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).