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

C17H15F2N5O2 — CID 56741365

IUPAC5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c(=O)[nH]1
InChIInChI=1S/C17H15F2N5O2/c18-12-2-1-9(5-13(12)19)15-11-8-24(4-3-14(11)22-23-15)7-10-6-20-17(26)21-16(10)25/h1-2,5-6H,3-4,7-8H2,(H,22,23)(H2,20,21,25,26)
InChIKeyRBUCGHNJOBCIDN-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.29
Rot. Bonds3

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

5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 56741365) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID56741365
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c(=O)[nH]1
InChIInChI=1S/C17H15F2N5O2/c18-12-2-1-9(5-13(12)19)15-11-8-24(4-3-14(11)22-23-15)7-10-6-20-17(26)21-16(10)25/h1-2,5-6H,3-4,7-8H2,(H,22,23)(H2,20,21,25,26)
InChIKeyRBUCGHNJOBCIDN-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-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56757047
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
6-[[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56749783
2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56754669
6-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24921850
5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 56866838
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
CID 42518368
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341

Frequently Asked Questions

What is the IUPAC name of 5-[[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 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione (CID 56741365) is 5-[[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 5-[[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 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c(=O)[nH]1.
What is the InChIKey of 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RBUCGHNJOBCIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-12-2-1-9(5-13(12)19)15-11-8-24(4-3-14(11)22-23-15)7-10-6-20-17(26)21-16(10)25/h1-2,5-6H,3-4,7-8H2,(H,22,23)(H2,20,21,25,26).
What are the key properties of 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
5-[[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 5-[[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 56741365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).