5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C23H25FN4O — CID 45242211

IUPAC5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(C2CCN(c4ccc(F)cc4)C2)CC3)c1
InChIInChI=1S/C23H25FN4O/c1-29-20-4-2-3-16(13-20)23-21-15-28(12-10-22(21)25-26-23)19-9-11-27(14-19)18-7-5-17(24)6-8-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,26)
InChIKeyIXFSWSUWMMBRQP-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.86
Rot. Bonds4

About 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 45242211) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID45242211
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(C2CCN(c4ccc(F)cc4)C2)CC3)c1
InChIInChI=1S/C23H25FN4O/c1-29-20-4-2-3-16(13-20)23-21-15-28(12-10-22(21)25-26-23)19-9-11-27(14-19)18-7-5-17(24)6-8-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,26)
InChIKeyIXFSWSUWMMBRQP-UHFFFAOYSA-N
XLogP3.86
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42194500
[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 42510874
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
5-(1,4-dithiepan-6-yl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29029582
(4S)-4-(3-fluorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 1489876
2-(3-methoxyphenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 56942656
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536007
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
CID 95047414
4,6-difluoro-2,3-dihydro-1H-inden-2-ol;1-[3-[3-(trifluoromethoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 144552471

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 45242211) is 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1cccc(-c2n[nH]c3c2CN(C2CCN(c4ccc(F)cc4)C2)CC3)c1.
What is the InChIKey of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IXFSWSUWMMBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-29-20-4-2-3-16(13-20)23-21-15-28(12-10-22(21)25-26-23)19-9-11-27(14-19)18-7-5-17(24)6-8-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,26).
What are the key properties of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 392.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).