[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C26H22F6N4O2 — CID 42787769

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C26H22F6N4O2/c27-25(28,29)18-12-17(13-19(14-18)26(30,31)32)24(37)36-7-6-21-20(15-36)23(35-8-10-38-11-9-35)34-22(33-21)16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2
InChIKeyOUYGTRZAYOJRTB-UHFFFAOYSA-N
MW536.48 g/mol
LogP5.22
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 42787769) has the molecular formula C26H22F6N4O2 and a molecular weight of 536.48 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID42787769
Molecular FormulaC26H22F6N4O2
Molecular Weight536.48 g/mol
Exact Mass536.16
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C26H22F6N4O2/c27-25(28,29)18-12-17(13-19(14-18)26(30,31)32)24(37)36-7-6-21-20(15-36)23(35-8-10-38-11-9-35)34-22(33-21)16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2
InChIKeyOUYGTRZAYOJRTB-UHFFFAOYSA-N
XLogP5.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

morpholin-4-yl-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 3607547
N-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42666117
(2-methoxyphenyl)-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787779
(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7361589
(4-tert-butylphenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786931
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
1-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)heptan-1-one
CID 7288495
N-(3-chlorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787841
(4-bromophenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786935
2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42666115
N-(3-ethylphenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787853
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 7347657

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 42787769) is [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is OUYGTRZAYOJRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N4O2/c27-25(28,29)18-12-17(13-19(14-18)26(30,31)32)24(37)36-7-6-21-20(15-36)23(35-8-10-38-11-9-35)34-22(33-21)16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 536.48 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 42787769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).