[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

C18H19F2N3O2 — CID 129491852

IUPAC[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O2/c19-14-5-4-11(7-15(14)20)17-8-12(24)10-22(17)18(25)13-9-21-23-6-2-1-3-16(13)23/h4-5,7,9,12,17,24H,1-3,6,8,10H2/t12-,17+/m1/s1
InChIKeyWRSNOVVUCPFCAV-PXAZEXFGSA-N
MW347.37 g/mol
LogP2.45
Rot. Bonds2

About [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 129491852) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID129491852
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O2/c19-14-5-4-11(7-15(14)20)17-8-12(24)10-22(17)18(25)13-9-21-23-6-2-1-3-16(13)23/h4-5,7,9,12,17,24H,1-3,6,8,10H2/t12-,17+/m1/s1
InChIKeyWRSNOVVUCPFCAV-PXAZEXFGSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 128990111
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
CID 128560592
3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346049
[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346048
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346047
(4-cyclopropyl-1,3-thiazol-5-yl)-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 127722293
5-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 129352473
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 128963778
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 128990290
(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990135

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (CID 129491852) is [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1cnn2c1CCCC2)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is WRSNOVVUCPFCAV-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-14-5-4-11(7-15(14)20)17-8-12(24)10-22(17)18(25)13-9-21-23-6-2-1-3-16(13)23/h4-5,7,9,12,17,24H,1-3,6,8,10H2/t12-,17+/m1/s1.
What are the key properties of [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 347.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 129491852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).