N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C28H27F6N5O2 — CID 4032002

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(Cc2nc3c(c(N4CCOCC4)n2)CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)c1
InChIInChI=1S/C28H27F6N5O2/c1-17-3-2-4-18(11-17)12-24-36-23-5-6-39(16-22(23)25(37-24)38-7-9-41-10-8-38)26(40)35-21-14-19(27(29,30)31)13-20(15-21)28(32,33)34/h2-4,11,13-15H,5-10,12,16H2,1H3,(H,35,40)
InChIKeyUVMUWFQUSAMICH-UHFFFAOYSA-N
MW579.55 g/mol
LogP5.84
Rot. Bonds4

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

N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 4032002) has the molecular formula C28H27F6N5O2 and a molecular weight of 579.55 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID4032002
Molecular FormulaC28H27F6N5O2
Molecular Weight579.55 g/mol
Exact Mass579.21
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(Cc2nc3c(c(N4CCOCC4)n2)CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)c1
InChIInChI=1S/C28H27F6N5O2/c1-17-3-2-4-18(11-17)12-24-36-23-5-6-39(16-22(23)25(37-24)38-7-9-41-10-8-38)26(40)35-21-14-19(27(29,30)31)13-20(15-21)28(32,33)34/h2-4,11,13-15H,5-10,12,16H2,1H3,(H,35,40)
InChIKeyUVMUWFQUSAMICH-UHFFFAOYSA-N
XLogP5.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.55
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

Gdc-0349
CID 59239165
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
2-(3-morpholinopropyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030032
tert-butyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 44814560
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 44815590
1-ethyl-3-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]urea
CID 44816122
1-Ethyl-3-(4-(4-morpholino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl) phenyl)urea
CID 46913071
methyl 2-(4-(3-ethylureido)phenyl)-4-morpholino-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 46913265
tert-butyl 2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46913471
N-(3-(1,1-difluoroethyl)phenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54582546
N-(3-ethylphenyl)-2-phenyl-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54582585
N-(3-ethylphenyl)-2-(4-fluorophenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54583558

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 4032002) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1cccc(Cc2nc3c(c(N4CCOCC4)n2)CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is UVMUWFQUSAMICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F6N5O2/c1-17-3-2-4-18(11-17)12-24-36-23-5-6-39(16-22(23)25(37-24)38-7-9-41-10-8-38)26(40)35-21-14-19(27(29,30)31)13-20(15-21)28(32,33)34/h2-4,11,13-15H,5-10,12,16H2,1H3,(H,35,40).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 579.55 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4032002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).