[4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C24H24F3N5O3 — CID 139473345

IUPAC[4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ncnc3cc(N4CCOCC4)cnc23)CC1
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)35-19-3-1-17(2-4-19)23(33)32-7-5-16(6-8-32)21-22-20(29-15-30-21)13-18(14-28-22)31-9-11-34-12-10-31/h1-4,13-16H,5-12H2
InChIKeyKDKCALNNEHIURA-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.78
Rot. Bonds4

About [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 139473345) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID139473345
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name[4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ncnc3cc(N4CCOCC4)cnc23)CC1
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)35-19-3-1-17(2-4-19)23(33)32-7-5-16(6-8-32)21-22-20(29-15-30-21)13-18(14-28-22)31-9-11-34-12-10-31/h1-4,13-16H,5-12H2
InChIKeyKDKCALNNEHIURA-UHFFFAOYSA-N
XLogP3.78
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 139473345) is [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ncnc3cc(N4CCOCC4)cnc23)CC1.
What is the InChIKey of [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is KDKCALNNEHIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c25-24(26,27)35-19-3-1-17(2-4-19)23(33)32-7-5-16(6-8-32)21-22-20(29-15-30-21)13-18(14-28-22)31-9-11-34-12-10-31/h1-4,13-16H,5-12H2.
What are the key properties of [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 487.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 139473345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).