3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine

C25H22FN3O3 — CID 11546491

IUPAC3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccnn2-c2ccc(-c3ccncc3F)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C25H22FN3O3/c1-30-24-7-4-18(14-25(24)32-20-10-13-31-16-20)23-9-12-28-29(23)19-5-2-17(3-6-19)21-8-11-27-15-22(21)26/h2-9,11-12,14-15,20H,10,13,16H2,1H3/t20-/m1/s1
InChIKeyRFJBCMHIWGPWDT-HXUWFJFHSA-N
MW431.47 g/mol
LogP4.92
Rot. Bonds6

About 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine

3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine (PubChem CID 11546491) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
PubChem CID11546491
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccnn2-c2ccc(-c3ccncc3F)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C25H22FN3O3/c1-30-24-7-4-18(14-25(24)32-20-10-13-31-16-20)23-9-12-28-29(23)19-5-2-17(3-6-19)21-8-11-27-15-22(21)26/h2-9,11-12,14-15,20H,10,13,16H2,1H3/t20-/m1/s1
InChIKeyRFJBCMHIWGPWDT-HXUWFJFHSA-N
XLogP4.92
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-{1-[(1s)-1-[3-(Cyclopropylmethoxy)-4-(Difluoromethoxy)phenyl]-2-(1-Oxidopyridin-4-Yl)ethyl]-1h-Pyrazol-3-Yl}phenyl)acetamide
CID 78225170
Jnj-42259152
CID 51353528
(3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 2060907
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
N-[3-[1-[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyrazol-3-yl]phenyl]acetamide
CID 25120500
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
2-(4-(2-(4-(dimethylamino)phenyl)pyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl)acetonitrile
CID 45482631
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483003
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The IUPAC name of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine (CID 11546491) is 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The canonical SMILES for 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine is COc1ccc(-c2ccnn2-c2ccc(-c3ccncc3F)cc2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The InChIKey is RFJBCMHIWGPWDT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-30-24-7-4-18(14-25(24)32-20-10-13-31-16-20)23-9-12-28-29(23)19-5-2-17(3-6-19)21-8-11-27-15-22(21)26/h2-9,11-12,14-15,20H,10,13,16H2,1H3/t20-/m1/s1.
What are the key properties of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine has a molecular weight of 431.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 11546491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).