5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine

C23H25F2N3O2 — CID 134570099

IUPAC5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
SMILESCc1cnn2ccc(N3CC(F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12
InChIInChI=1S/C23H25F2N3O2/c1-15-13-26-28-7-4-18(12-21(15)28)27-14-17(25)11-22(27)20-10-16(24)2-3-23(20)30-19-5-8-29-9-6-19/h2-4,7,10,12-13,17,19,22H,5-6,8-9,11,14H2,1H3/t17?,22-/m1/s1
InChIKeyOJHBUOFFYBGSEV-IVAFLUGOSA-N
MW413.47 g/mol
LogP4.63
Rot. Bonds4

About 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine

5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine (PubChem CID 134570099) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
PubChem CID134570099
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
SMILESCc1cnn2ccc(N3CC(F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12
InChIInChI=1S/C23H25F2N3O2/c1-15-13-26-28-7-4-18(12-21(15)28)27-14-17(25)11-22(27)20-10-16(24)2-3-23(20)30-19-5-8-29-9-6-19/h2-4,7,10,12-13,17,19,22H,5-6,8-9,11,14H2,1H3/t17?,22-/m1/s1
InChIKeyOJHBUOFFYBGSEV-IVAFLUGOSA-N
XLogP4.63
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
CID 118616416
ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440422
N-tert-butylsulfonyl-5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R,4S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 160610260
6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118590337
N-[cyclopropyl(methyl)sulfamoyl]-6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590499
5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599349
N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590576
sodium tert-butylsulfonyl-[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]azanide
CID 140675019
6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590503
N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 72672980
6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590511
N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 160888417

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine (CID 134570099) is 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine is Cc1cnn2ccc(N3CC(F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.
What is the InChIKey of 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
The InChIKey is OJHBUOFFYBGSEV-IVAFLUGOSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15-13-26-28-7-4-18(12-21(15)28)27-14-17(25)11-22(27)20-10-16(24)2-3-23(20)30-19-5-8-29-9-6-19/h2-4,7,10,12-13,17,19,22H,5-6,8-9,11,14H2,1H3/t17?,22-/m1/s1.
What are the key properties of 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine has a molecular weight of 413.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134570099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).