6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C16H16F2N6O — CID 137078060

IUPAC6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1CC[C@H](Nc2nc3[nH]ncc3c(=O)[nH]2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N6O/c1-24-5-4-12(13(24)8-2-3-10(17)11(18)6-8)20-16-21-14-9(7-19-23-14)15(25)22-16/h2-3,6-7,12-13H,4-5H2,1H3,(H3,19,20,21,22,23,25)/t12-,13+/m0/s1
InChIKeyUOPKVJIDMARAMM-QWHCGFSZSA-N
MW346.34 g/mol
LogP1.78
Rot. Bonds3

About 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137078060) has the molecular formula C16H16F2N6O and a molecular weight of 346.34 g/mol. Its IUPAC name is 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137078060
Molecular FormulaC16H16F2N6O
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Name6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1CC[C@H](Nc2nc3[nH]ncc3c(=O)[nH]2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N6O/c1-24-5-4-12(13(24)8-2-3-10(17)11(18)6-8)20-16-21-14-9(7-19-23-14)15(25)22-16/h2-3,6-7,12-13H,4-5H2,1H3,(H3,19,20,21,22,23,25)/t12-,13+/m0/s1
InChIKeyUOPKVJIDMARAMM-QWHCGFSZSA-N
XLogP1.78
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137078060) is 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN1CC[C@H](Nc2nc3[nH]ncc3c(=O)[nH]2)[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UOPKVJIDMARAMM-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H16F2N6O/c1-24-5-4-12(13(24)8-2-3-10(17)11(18)6-8)20-16-21-14-9(7-19-23-14)15(25)22-16/h2-3,6-7,12-13H,4-5H2,1H3,(H3,19,20,21,22,23,25)/t12-,13+/m0/s1.
What are the key properties of 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 346.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137078060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).