6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one

C22H23F2N5O — CID 126941871

IUPAC6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1
InChIInChI=1S/C22H23F2N5O/c23-20(24)21-26-17-4-2-1-3-16(17)22(27-21)28-9-7-14(8-10-28)12-29-13-25-18(11-19(29)30)15-5-6-15/h1-4,11,13-15,20H,5-10,12H2
InChIKeyZIRDNGKIDMUFQP-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.92
Rot. Bonds5

About 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941871) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941871
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1
InChIInChI=1S/C22H23F2N5O/c23-20(24)21-26-17-4-2-1-3-16(17)22(27-21)28-9-7-14(8-10-28)12-29-13-25-18(11-19(29)30)15-5-6-15/h1-4,11,13-15,20H,5-10,12H2
InChIKeyZIRDNGKIDMUFQP-UHFFFAOYSA-N
XLogP3.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863717
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941517
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943978
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774
3-[[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943508
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928383
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929847
6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
3-[[1-(1,2-benzoxazol-3-ylmethylsulfonyl)piperidin-4-yl]methyl]-6-cyclopropylpyrimidin-4-one
CID 126941709
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941871) is 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZIRDNGKIDMUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c23-20(24)21-26-17-4-2-1-3-16(17)22(27-21)28-9-7-14(8-10-28)12-29-13-25-18(11-19(29)30)15-5-6-15/h1-4,11,13-15,20H,5-10,12H2.
What are the key properties of 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 411.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).