(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone

C17H20N4O — CID 126827187

IUPAC(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCc2c(cnn2-c2ccccc2)C1
InChIInChI=1S/C17H20N4O/c22-17(15-7-4-9-18-15)20-10-8-16-13(12-20)11-19-21(16)14-5-2-1-3-6-14/h1-3,5-6,11,15,18H,4,7-10,12H2/t15-/m0/s1
InChIKeyCAEFMPRWDYDQJU-HNNXBMFYSA-N
MW296.37 g/mol
LogP1.51
Rot. Bonds2

About (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone

(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 126827187) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID126827187
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCc2c(cnn2-c2ccccc2)C1
InChIInChI=1S/C17H20N4O/c22-17(15-7-4-9-18-15)20-10-8-16-13(12-20)11-19-21(16)14-5-2-1-3-6-14/h1-3,5-6,11,15,18H,4,7-10,12H2/t15-/m0/s1
InChIKeyCAEFMPRWDYDQJU-HNNXBMFYSA-N
XLogP1.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166248144
[(3aS,7aS)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
CID 126827701
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104901455
4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 119270199
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527187
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331
2-(piperidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559033
1-[3-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 154856754

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 126827187) is (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)N1CCc2c(cnn2-c2ccccc2)C1.
What is the InChIKey of (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is CAEFMPRWDYDQJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(15-7-4-9-18-15)20-10-8-16-13(12-20)11-19-21(16)14-5-2-1-3-6-14/h1-3,5-6,11,15,18H,4,7-10,12H2/t15-/m0/s1.
What are the key properties of (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 126827187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).