6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C19H25F2N5O — CID 126944188

IUPAC6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCn1nc2c(c1CN1CCC(Cn3cnc(C(F)F)cc3=O)CC1)CCC2
InChIInChI=1S/C19H25F2N5O/c1-24-17(14-3-2-4-15(14)23-24)11-25-7-5-13(6-8-25)10-26-12-22-16(19(20)21)9-18(26)27/h9,12-13,19H,2-8,10-11H2,1H3
InChIKeyLRQWMFXIEUSPEG-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.32
Rot. Bonds5

About 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944188) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944188
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCn1nc2c(c1CN1CCC(Cn3cnc(C(F)F)cc3=O)CC1)CCC2
InChIInChI=1S/C19H25F2N5O/c1-24-17(14-3-2-4-15(14)23-24)11-25-7-5-13(6-8-25)10-26-12-22-16(19(20)21)9-18(26)27/h9,12-13,19H,2-8,10-11H2,1H3
InChIKeyLRQWMFXIEUSPEG-UHFFFAOYSA-N
XLogP2.32
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944188) is 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cn1nc2c(c1CN1CCC(Cn3cnc(C(F)F)cc3=O)CC1)CCC2.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is LRQWMFXIEUSPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O/c1-24-17(14-3-2-4-15(14)23-24)11-25-7-5-13(6-8-25)10-26-12-22-16(19(20)21)9-18(26)27/h9,12-13,19H,2-8,10-11H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 377.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).