7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide

C22H25F3N6O2 — CID 172745260

IUPAC7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N[C@H](C)c2cc(O)cc(C(F)(F)F)c2)c2cc(C(=O)N(C)C)c(N(C)C)nc2n1
InChIInChI=1S/C22H25F3N6O2/c1-11(13-7-14(22(23,24)25)9-15(32)8-13)26-18-16-10-17(21(33)31(5)6)20(30(3)4)29-19(16)28-12(2)27-18/h7-11,32H,1-6H3,(H,26,27,28,29)/t11-/m1/s1
InChIKeyJQCSMSQZBZYBAT-LLVKDONJSA-N
MW462.48 g/mol
LogP4.00
Rot. Bonds5

About 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide

7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172745260) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID172745260
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC Name7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N[C@H](C)c2cc(O)cc(C(F)(F)F)c2)c2cc(C(=O)N(C)C)c(N(C)C)nc2n1
InChIInChI=1S/C22H25F3N6O2/c1-11(13-7-14(22(23,24)25)9-15(32)8-13)26-18-16-10-17(21(33)31(5)6)20(30(3)4)29-19(16)28-12(2)27-18/h7-11,32H,1-6H3,(H,26,27,28,29)/t11-/m1/s1
InChIKeyJQCSMSQZBZYBAT-LLVKDONJSA-N
XLogP4.00
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-(dimethylcarbamoyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]azetidine-2-carboxylic acid
CID 172705622
tert-butyl 3-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-(dimethylcarbamoyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172839751
7-N,7-N,2-trimethyl-4-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]-6-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 172696423
4-[[(1R)-1-[3-(1,1-difluoroethyl)-5-nitrophenyl]ethyl]amino]-N,N,2-trimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 175758732
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-prop-1-en-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 172777093
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 164897555
2-methoxy-4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
CID 155539472
6-bromo-7-chloro-2-methyl-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 163365720
6-(1-ethoxyethenyl)-7-methoxy-2-methyl-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 172843455
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-6-(4-methylpiperazine-1-carbonyl)pyrano[2,3-d]pyrimidin-7-one
CID 166067089
1-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 162516045
(7S,10S)-N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,7,10-trimethyl-7,8,9,10-tetrahydro-[1,4]dioxocino[2,3-g]quinazolin-4-amine
CID 167153895

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 172745260) is 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N[C@H](C)c2cc(O)cc(C(F)(F)F)c2)c2cc(C(=O)N(C)C)c(N(C)C)nc2n1.
What is the InChIKey of 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JQCSMSQZBZYBAT-LLVKDONJSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-11(13-7-14(22(23,24)25)9-15(32)8-13)26-18-16-10-17(21(33)31(5)6)20(30(3)4)29-19(16)28-12(2)27-18/h7-11,32H,1-6H3,(H,26,27,28,29)/t11-/m1/s1.
What are the key properties of 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide?
7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-[[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]amino]-N,N,2-trimethylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172745260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).