2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C26H26F3N5O — CID 42666115

IUPAC2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C26H26F3N5O/c27-26(28,29)19-9-11-20(12-10-19)30-25(35)34-16-13-22-21(17-34)24(33-14-5-2-6-15-33)32-23(31-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-17H2,(H,30,35)
InChIKeyHPNYUWSNXBJLGN-UHFFFAOYSA-N
MW481.52 g/mol
LogP5.74
Rot. Bonds3

About 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42666115) has the molecular formula C26H26F3N5O and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42666115
Molecular FormulaC26H26F3N5O
Molecular Weight481.52 g/mol
Exact Mass481.21
IUPAC Name2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C26H26F3N5O/c27-26(28,29)19-9-11-20(12-10-19)30-25(35)34-16-13-22-21(17-34)24(33-14-5-2-6-15-33)32-23(31-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-17H2,(H,30,35)
InChIKeyHPNYUWSNXBJLGN-UHFFFAOYSA-N
XLogP5.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42666115) is 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1.
What is the InChIKey of 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is HPNYUWSNXBJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O/c27-26(28,29)19-9-11-20(12-10-19)30-25(35)34-16-13-22-21(17-34)24(33-14-5-2-6-15-33)32-23(31-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-17H2,(H,30,35).
What are the key properties of 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42666115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).