N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide

C20H21N5O3 — CID 155479934

IUPACN-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc(Oc3ccccc3)ccn2)CCN2N=CCC21
InChIInChI=1S/C20H21N5O3/c1-24-18-8-11-22-25(18)12-9-16(20(24)27)23-19(26)17-13-15(7-10-21-17)28-14-5-3-2-4-6-14/h2-7,10-11,13,16,18H,8-9,12H2,1H3,(H,23,26)/t16-,18?/m0/s1
InChIKeyPVMGJDJCJVOWSU-ATNAJCNCSA-N
MW379.42 g/mol
LogP1.85
Rot. Bonds4

About N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide

N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide (PubChem CID 155479934) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide
PubChem CID155479934
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc(Oc3ccccc3)ccn2)CCN2N=CCC21
InChIInChI=1S/C20H21N5O3/c1-24-18-8-11-22-25(18)12-9-16(20(24)27)23-19(26)17-13-15(7-10-21-17)28-14-5-3-2-4-6-14/h2-7,10-11,13,16,18H,8-9,12H2,1H3,(H,23,26)/t16-,18?/m0/s1
InChIKeyPVMGJDJCJVOWSU-ATNAJCNCSA-N
XLogP1.85
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide 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

cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677474
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119457932
N-[(7S)-9-methyl-8-oxo-2-(3,4,4-trifluoro-3-hydroxybut-1-ynyl)-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
CID 175423564
N-[8-(6-chloro-3-pyridinyl)-1,9a-dimethyl-2-oxo-3,4,5,9-tetrahydro-1-benzazepin-3-yl]-4-phenoxypyridine-2-carboxamide
CID 156738080
N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide
CID 175423540
N-[(7S)-2-[3,3-difluoro-3-(oxetan-3-yl)prop-1-ynyl]-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
CID 159220898
N-[5-methyl-4-oxo-7-[4,4,4-trideuterio-3-hydroxy-3-(trideuteriomethyl)but-1-ynyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
CID 155657519
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832
N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
CID 158561203
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 124688855
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 124691951
N-methyl-4-phenoxy-N-piperidin-4-ylpyridine-2-carboxamide
CID 119443292

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide?
The IUPAC name of N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide (CID 155479934) is N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide is CN1C(=O)[C@@H](NC(=O)c2cc(Oc3ccccc3)ccn2)CCN2N=CCC21.
What is the InChIKey of N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide?
The InChIKey is PVMGJDJCJVOWSU-ATNAJCNCSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-24-18-8-11-22-25(18)12-9-16(20(24)27)23-19(26)17-13-15(7-10-21-17)28-14-5-3-2-4-6-14/h2-7,10-11,13,16,18H,8-9,12H2,1H3,(H,23,26)/t16-,18?/m0/s1.
What are the key properties of N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide?
N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 155479934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).