6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione

C17H15F2N5O2 — CID 56757047

IUPAC6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)[nH]c(=O)[nH]1
InChIInChI=1S/C17H15F2N5O2/c18-12-2-1-9(5-13(12)19)16-11-8-24(4-3-14(11)22-23-16)7-10-6-15(25)21-17(26)20-10/h1-2,5-6H,3-4,7-8H2,(H,22,23)(H2,20,21,25,26)
InChIKeyOHHQYZMGYNFDLJ-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.29
Rot. Bonds3

About 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 56757047) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID56757047
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)[nH]c(=O)[nH]1
InChIInChI=1S/C17H15F2N5O2/c18-12-2-1-9(5-13(12)19)16-11-8-24(4-3-14(11)22-23-16)7-10-6-15(25)21-17(26)20-10/h1-2,5-6H,3-4,7-8H2,(H,22,23)(H2,20,21,25,26)
InChIKeyOHHQYZMGYNFDLJ-UHFFFAOYSA-N
XLogP1.29
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56749783
5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56741365
4-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56759112
5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole
CID 56738952
N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 56750400
2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56754669
3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538129
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
6-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24921850
1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
CID 42518368

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione (CID 56757047) is 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OHHQYZMGYNFDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-12-2-1-9(5-13(12)19)16-11-8-24(4-3-14(11)22-23-16)7-10-6-15(25)21-17(26)20-10/h1-2,5-6H,3-4,7-8H2,(H,22,23)(H2,20,21,25,26).
What are the key properties of 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 359.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56757047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).