3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C18H17FN4 — CID 82587820

IUPAC3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2nn(Cc3ccncc3)c3c2CNCC3)cc1
InChIInChI=1S/C18H17FN4/c19-15-3-1-14(2-4-15)18-16-11-21-10-7-17(16)23(22-18)12-13-5-8-20-9-6-13/h1-6,8-9,21H,7,10-12H2
InChIKeySKAIAKJCDPISTM-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.78
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587820) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587820
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2nn(Cc3ccncc3)c3c2CNCC3)cc1
InChIInChI=1S/C18H17FN4/c19-15-3-1-14(2-4-15)18-16-11-21-10-7-17(16)23(22-18)12-13-5-8-20-9-6-13/h1-6,8-9,21H,7,10-12H2
InChIKeySKAIAKJCDPISTM-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587041
3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepine
CID 59752572
3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57221359
4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid
CID 110458993
methyl 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoate
CID 110458994
1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587515
3-(4-fluorophenyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 141360491
3-[1-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile;hydrochloride
CID 131733416
3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587747
2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile
CID 82588472
3-(4-chlorophenyl)-1-[(3-fluoro-4-nitrosophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 89214087
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561268

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587820) is 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1ccc(-c2nn(Cc3ccncc3)c3c2CNCC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is SKAIAKJCDPISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-15-3-1-14(2-4-15)18-16-11-21-10-7-17(16)23(22-18)12-13-5-8-20-9-6-13/h1-6,8-9,21H,7,10-12H2.
What are the key properties of 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 308.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).