3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C34H32F6N10O2 — CID 162100472

IUPAC3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C3CC3)nn2[C@@H](C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1.Cc1nc2c(c(C3CC3)nn2[C@H](C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1
InChIInChI=1S/2C17H16F3N5O/c2*1-8(11-5-6-12(21-7-11)17(18,19)20)25-15-13(14(24-25)10-3-4-10)16(26)23-9(2)22-15/h2*5-8,10H,3-4H2,1-2H3,(H,22,23,26)/t2*8-/m10/s1
InChIKeyZEUSRJLZSTVGSW-RMTNWKGQSA-N
MW726.69 g/mol
LogP6.66
Rot. Bonds6

About 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162100472) has the molecular formula C34H32F6N10O2 and a molecular weight of 726.69 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162100472
Molecular FormulaC34H32F6N10O2
Molecular Weight726.69 g/mol
Exact Mass726.26
IUPAC Name3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C3CC3)nn2[C@@H](C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1.Cc1nc2c(c(C3CC3)nn2[C@H](C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1
InChIInChI=1S/2C17H16F3N5O/c2*1-8(11-5-6-12(21-7-11)17(18,19)20)25-15-13(14(24-25)10-3-4-10)16(26)23-9(2)22-15/h2*5-8,10H,3-4H2,1-2H3,(H,22,23,26)/t2*8-/m10/s1
InChIKeyZEUSRJLZSTVGSW-RMTNWKGQSA-N
XLogP6.66
TPSA152.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.69
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-6-methyl-1-[1-[4-(trifluoromethoxy)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289743
3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146728067
3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289721
3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289651
3-cyclopropyl-1-[1-(3,4-difluorophenyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289735
3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137304576
1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289719
3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146595200
3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289711
4-oxo-6-[(1S,2S)-2-pyrimidin-2-ylcyclobutyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
CID 137356978
3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289732
6-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
CID 137356544

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 162100472) is 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C3CC3)nn2[C@@H](C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1.Cc1nc2c(c(C3CC3)nn2[C@H](C)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZEUSRJLZSTVGSW-RMTNWKGQSA-N. The full InChI is InChI=1S/2C17H16F3N5O/c2*1-8(11-5-6-12(21-7-11)17(18,19)20)25-15-13(14(24-25)10-3-4-10)16(26)23-9(2)22-15/h2*5-8,10H,3-4H2,1-2H3,(H,22,23,26)/t2*8-/m10/s1.
What are the key properties of 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 726.69 g/mol, XLogP of 6.66, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162100472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).