6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione

C17H13F2N5O3 — CID 56738859

IUPAC6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C17H13F2N5O3/c18-10-2-1-8(5-11(10)19)15-9-7-24(4-3-12(9)22-23-15)16(26)13-6-14(25)21-17(27)20-13/h1-2,5-6H,3-4,7H2,(H,22,23)(H2,20,21,25,27)
InChIKeyDXJKZCBXMMIQQA-UHFFFAOYSA-N
MW373.32 g/mol
LogP0.93
Rot. Bonds2

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

6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 56738859) has the molecular formula C17H13F2N5O3 and a molecular weight of 373.32 g/mol. Its IUPAC name is 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID56738859
Molecular FormulaC17H13F2N5O3
Molecular Weight373.32 g/mol
Exact Mass373.10
IUPAC Name6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C17H13F2N5O3/c18-10-2-1-8(5-11(10)19)15-9-7-24(4-3-12(9)22-23-15)16(26)13-6-14(25)21-17(27)20-13/h1-2,5-6H,3-4,7H2,(H,22,23)(H2,20,21,25,27)
InChIKeyDXJKZCBXMMIQQA-UHFFFAOYSA-N
XLogP0.93
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione (CID 56738859) is 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DXJKZCBXMMIQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O3/c18-10-2-1-8(5-11(10)19)15-9-7-24(4-3-12(9)22-23-15)16(26)13-6-14(25)21-17(27)20-13/h1-2,5-6H,3-4,7H2,(H,22,23)(H2,20,21,25,27).
What are the key properties of 6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 373.32 g/mol, XLogP of 0.93, 2 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]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56738859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).