4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile

C17H15F2N7O2 — CID 170606781

IUPAC4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile
SMILESCC1(C)CN(c2ncc(C#N)c3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C17H15F2N7O2/c1-16(2)7-25(8-17(16,18)19)13-10-6-26(11-5-22-15(28)23-14(11)27)24-12(10)9(3-20)4-21-13/h4-6H,7-8H2,1-2H3,(H2,22,23,27,28)
InChIKeyCDCOYCDWUYDEKO-UHFFFAOYSA-N
MW387.35 g/mol
LogP1.15
Rot. Bonds2

About 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile

4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile (PubChem CID 170606781) has the molecular formula C17H15F2N7O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile
PubChem CID170606781
Molecular FormulaC17H15F2N7O2
Molecular Weight387.35 g/mol
Exact Mass387.13
IUPAC Name4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile
SMILESCC1(C)CN(c2ncc(C#N)c3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C17H15F2N7O2/c1-16(2)7-25(8-17(16,18)19)13-10-6-26(11-5-22-15(28)23-14(11)27)24-12(10)9(3-20)4-21-13/h4-6H,7-8H2,1-2H3,(H2,22,23,27,28)
InChIKeyCDCOYCDWUYDEKO-UHFFFAOYSA-N
XLogP1.15
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile?
The IUPAC name of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile (CID 170606781) is 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile is CC1(C)CN(c2ncc(C#N)c3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F.
What is the InChIKey of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile?
The InChIKey is CDCOYCDWUYDEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O2/c1-16(2)7-25(8-17(16,18)19)13-10-6-26(11-5-22-15(28)23-14(11)27)24-12(10)9(3-20)4-21-13/h4-6H,7-8H2,1-2H3,(H2,22,23,27,28).
What are the key properties of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile?
4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile has a molecular weight of 387.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazolo[4,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 170606781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).