(1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

C16H23FN4O — CID 131696212

IUPAC(1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESO=C(N1CCc2c(CN3CCCC3)n[nH]c2C1)C1(F)CCC1
InChIInChI=1S/C16H23FN4O/c17-16(5-3-6-16)15(22)21-9-4-12-13(18-19-14(12)11-21)10-20-7-1-2-8-20/h1-11H2,(H,18,19)
InChIKeyZGDOHNDRSISAIP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.78
Rot. Bonds3

About (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

(1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 131696212) has the molecular formula C16H23FN4O and a molecular weight of 306.39 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID131696212
Molecular FormulaC16H23FN4O
Molecular Weight306.39 g/mol
Exact Mass306.19
IUPAC Name(1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESO=C(N1CCc2c(CN3CCCC3)n[nH]c2C1)C1(F)CCC1
InChIInChI=1S/C16H23FN4O/c17-16(5-3-6-16)15(22)21-9-4-12-13(18-19-14(12)11-21)10-20-7-1-2-8-20/h1-11H2,(H,18,19)
InChIKeyZGDOHNDRSISAIP-UHFFFAOYSA-N
XLogP1.78
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide
CID 39754099
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97150111
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 97822331
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one
CID 11952684
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
3,3,3-Trifluoro-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 118491662
1-(3-Ethyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-one
CID 118493336
3,3,3-Trifluoro-1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 131966425
2-Cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 144973715
1-(3-Fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 166919318

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (CID 131696212) is (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is O=C(N1CCc2c(CN3CCCC3)n[nH]c2C1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is ZGDOHNDRSISAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c17-16(5-3-6-16)15(22)21-9-4-12-13(18-19-14(12)11-21)10-20-7-1-2-8-20/h1-11H2,(H,18,19).
What are the key properties of (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
(1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 306.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 131696212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).