1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C26H25F6N5O — CID 168874792

IUPAC1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)nc(C)nc3nc2C(F)(F)F)CC1
InChIInChI=1S/C26H25F6N5O/c1-13-18(6-5-7-21(13)25(27,28)29)14(2)33-23-20-12-19(17-8-10-37(11-9-17)16(4)38)22(26(30,31)32)36-24(20)35-15(3)34-23/h5-8,12,14H,9-11H2,1-4H3,(H,33,34,35,36)/t14-/m1/s1
InChIKeyKDQGCEHVQBTKEQ-CQSZACIVSA-N
MW537.51 g/mol
LogP6.49
Rot. Bonds4

About 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 168874792) has the molecular formula C26H25F6N5O and a molecular weight of 537.51 g/mol. Its IUPAC name is 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID168874792
Molecular FormulaC26H25F6N5O
Molecular Weight537.51 g/mol
Exact Mass537.20
IUPAC Name1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)nc(C)nc3nc2C(F)(F)F)CC1
InChIInChI=1S/C26H25F6N5O/c1-13-18(6-5-7-21(13)25(27,28)29)14(2)33-23-20-12-19(17-8-10-37(11-9-17)16(4)38)22(26(30,31)32)36-24(20)35-15(3)34-23/h5-8,12,14H,9-11H2,1-4H3,(H,33,34,35,36)/t14-/m1/s1
InChIKeyKDQGCEHVQBTKEQ-CQSZACIVSA-N
XLogP6.49
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 168874792) is 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)nc(C)nc3nc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is KDQGCEHVQBTKEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C26H25F6N5O/c1-13-18(6-5-7-21(13)25(27,28)29)14(2)33-23-20-12-19(17-8-10-37(11-9-17)16(4)38)22(26(30,31)32)36-24(20)35-15(3)34-23/h5-8,12,14H,9-11H2,1-4H3,(H,33,34,35,36)/t14-/m1/s1.
What are the key properties of 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 537.51 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 168874792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).