5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione

C15H13F2N5O2 — CID 163216786

IUPAC5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCn1ncc2c([C@H]3C[C@@H]3C(F)F)cc(-c3c[nH]c(=O)[nH]c3=O)nc21
InChIInChI=1S/C15H13F2N5O2/c1-22-13-9(5-19-22)7(6-2-8(6)12(16)17)3-11(20-13)10-4-18-15(24)21-14(10)23/h3-6,8,12H,2H2,1H3,(H2,18,21,23,24)/t6-,8+/m1/s1
InChIKeyOJKOKOXUAFZIPF-SVRRBLITSA-N
MW333.30 g/mol
LogP1.38
Rot. Bonds3

About 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione

5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163216786) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID163216786
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCn1ncc2c([C@H]3C[C@@H]3C(F)F)cc(-c3c[nH]c(=O)[nH]c3=O)nc21
InChIInChI=1S/C15H13F2N5O2/c1-22-13-9(5-19-22)7(6-2-8(6)12(16)17)3-11(20-13)10-4-18-15(24)21-14(10)23/h3-6,8,12H,2H2,1H3,(H2,18,21,23,24)/t6-,8+/m1/s1
InChIKeyOJKOKOXUAFZIPF-SVRRBLITSA-N
XLogP1.38
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione (CID 163216786) is 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione is Cn1ncc2c([C@H]3C[C@@H]3C(F)F)cc(-c3c[nH]c(=O)[nH]c3=O)nc21.
What is the InChIKey of 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is OJKOKOXUAFZIPF-SVRRBLITSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-22-13-9(5-19-22)7(6-2-8(6)12(16)17)3-11(20-13)10-4-18-15(24)21-14(10)23/h3-6,8,12H,2H2,1H3,(H2,18,21,23,24)/t6-,8+/m1/s1.
What are the key properties of 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione?
5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 333.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).