4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine

C19H17ClF3N5 — CID 157044679

IUPAC4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
SMILESCc1nc2nc(N3CCC(F)(F)CC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C19H17ClF3N5/c1-10-11(2)25-17-16(24-10)15(13-4-3-12(20)9-14(13)21)26-18(27-17)28-7-5-19(22,23)6-8-28/h3-4,9H,5-8H2,1-2H3
InChIKeyHYYGENODPMLRIU-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.73
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine

4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine (PubChem CID 157044679) has the molecular formula C19H17ClF3N5 and a molecular weight of 407.83 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
PubChem CID157044679
Molecular FormulaC19H17ClF3N5
Molecular Weight407.83 g/mol
Exact Mass407.11
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
SMILESCc1nc2nc(N3CCC(F)(F)CC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C19H17ClF3N5/c1-10-11(2)25-17-16(24-10)15(13-4-3-12(20)9-14(13)21)26-18(27-17)28-7-5-19(22,23)6-8-28/h3-4,9H,5-8H2,1-2H3
InChIKeyHYYGENODPMLRIU-UHFFFAOYSA-N
XLogP4.73
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine (CID 157044679) is 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine is Cc1nc2nc(N3CCC(F)(F)CC3)nc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine?
The InChIKey is HYYGENODPMLRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5/c1-10-11(2)25-17-16(24-10)15(13-4-3-12(20)9-14(13)21)26-18(27-17)28-7-5-19(22,23)6-8-28/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine?
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine has a molecular weight of 407.83 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine is sourced from PubChem (CID 157044679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).