6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H24F2N6O — CID 126944107

IUPAC6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCc2ncnc(N3CCC(Cn4cnc(C(F)F)cc4=O)CC3)c2C1
InChIInChI=1S/C19H24F2N6O/c1-25-5-4-15-14(10-25)19(23-11-22-15)26-6-2-13(3-7-26)9-27-12-24-16(18(20)21)8-17(27)28/h8,11-13,18H,2-7,9-10H2,1H3
InChIKeyAPMTZXMDSHQECU-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.88
Rot. Bonds4

About 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944107) has the molecular formula C19H24F2N6O and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944107
Molecular FormulaC19H24F2N6O
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC Name6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCc2ncnc(N3CCC(Cn4cnc(C(F)F)cc4=O)CC3)c2C1
InChIInChI=1S/C19H24F2N6O/c1-25-5-4-15-14(10-25)19(23-11-22-15)26-6-2-13(3-7-26)9-27-12-24-16(18(20)21)8-17(27)28/h8,11-13,18H,2-7,9-10H2,1H3
InChIKeyAPMTZXMDSHQECU-UHFFFAOYSA-N
XLogP1.88
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944107) is 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one is CN1CCc2ncnc(N3CCC(Cn4cnc(C(F)F)cc4=O)CC3)c2C1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is APMTZXMDSHQECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O/c1-25-5-4-15-14(10-25)19(23-11-22-15)26-6-2-13(3-7-26)9-27-12-24-16(18(20)21)8-17(27)28/h8,11-13,18H,2-7,9-10H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 390.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).