[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone

C19H25N5O3 — CID 50980988

IUPAC[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(O)c(CN2CCCn3nc(C(=O)N4CCOCC4)cc3C2)n1
InChIInChI=1S/C19H25N5O3/c1-14-3-4-18(25)17(20-14)13-22-5-2-6-24-15(12-22)11-16(21-24)19(26)23-7-9-27-10-8-23/h3-4,11,25H,2,5-10,12-13H2,1H3
InChIKeyYFXAXLFREGKAEV-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.17
Rot. Bonds3

About [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone

[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone (PubChem CID 50980988) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone
PubChem CID50980988
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(O)c(CN2CCCn3nc(C(=O)N4CCOCC4)cc3C2)n1
InChIInChI=1S/C19H25N5O3/c1-14-3-4-18(25)17(20-14)13-22-5-2-6-24-15(12-22)11-16(21-24)19(26)23-7-9-27-10-8-23/h3-4,11,25H,2,5-10,12-13H2,1H3
InChIKeyYFXAXLFREGKAEV-UHFFFAOYSA-N
XLogP1.17
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-methylbut-2-enyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50962354
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 95141808
7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone
CID 176895985
1-morpholin-4-yl-3-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-one
CID 72921641
methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50951202
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 50976050
[2-(diethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 71688921
2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177
(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97160125
[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
CID 50953270
3-[5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56915124
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828

Frequently Asked Questions

What is the IUPAC name of [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone (CID 50980988) is [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone is Cc1ccc(O)c(CN2CCCn3nc(C(=O)N4CCOCC4)cc3C2)n1.
What is the InChIKey of [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YFXAXLFREGKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-3-4-18(25)17(20-14)13-22-5-2-6-24-15(12-22)11-16(21-24)19(26)23-7-9-27-10-8-23/h3-4,11,25H,2,5-10,12-13H2,1H3.
What are the key properties of [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone?
[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 371.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50980988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).