[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid

C15H23N5O4 — CID 174219361

IUPAC[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
SMILESCN1C(=O)C(NC(=O)O)CCn2nc(CCN3CCOCC3)cc21
InChIInChI=1S/C15H23N5O4/c1-18-13-10-11(2-4-19-6-8-24-9-7-19)17-20(13)5-3-12(14(18)21)16-15(22)23/h10,12,16H,2-9H2,1H3,(H,22,23)
InChIKeyWNOYEWGOPBYZJB-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.24
Rot. Bonds4

About [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid

[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid (PubChem CID 174219361) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid.

Molecular Properties

Compound Name[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
PubChem CID174219361
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
SMILESCN1C(=O)C(NC(=O)O)CCn2nc(CCN3CCOCC3)cc21
InChIInChI=1S/C15H23N5O4/c1-18-13-10-11(2-4-19-6-8-24-9-7-19)17-20(13)5-3-12(14(18)21)16-15(22)23/h10,12,16H,2-9H2,1H3,(H,22,23)
InChIKeyWNOYEWGOPBYZJB-UHFFFAOYSA-N
XLogP-0.24
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid with MolForge

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Related Compounds

1-benzyl-N-[2-(2-ethoxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide;buta-1,3-diene
CID 145225470
[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153919
3-[(6S)-6-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-2-yl]azetidine-1-carboxylic acid
CID 175813156
[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69152376
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153138
2-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117156085
(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
CID 163539538
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463
2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide
CID 88823239
4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
CID 177063838

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid?
The IUPAC name of [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid (CID 174219361) is [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid.
What is the SMILES notation for [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid?
The canonical SMILES for [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid is CN1C(=O)C(NC(=O)O)CCn2nc(CCN3CCOCC3)cc21.
What is the InChIKey of [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid?
The InChIKey is WNOYEWGOPBYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-18-13-10-11(2-4-19-6-8-24-9-7-19)17-20(13)5-3-12(14(18)21)16-15(22)23/h10,12,16H,2-9H2,1H3,(H,22,23).
What are the key properties of [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid?
[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid has a molecular weight of 337.38 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid is sourced from PubChem (CID 174219361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).