2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C25H21F6N5O — CID 11237732

IUPAC2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc(C(C)C(F)(F)F)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C25H21F6N5O/c1-3-37-13-20-35-22(33-16-8-6-15(7-9-16)14(2)24(26,27)28)17-10-11-19(34-23(17)36-20)21-18(25(29,30)31)5-4-12-32-21/h4-12,14H,3,13H2,1-2H3,(H,33,34,35,36)
InChIKeyOHAPGJBUAUUMTK-UHFFFAOYSA-N
MW521.47 g/mol
LogP7.05
Rot. Bonds7

About 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11237732) has the molecular formula C25H21F6N5O and a molecular weight of 521.47 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11237732
Molecular FormulaC25H21F6N5O
Molecular Weight521.47 g/mol
Exact Mass521.17
IUPAC Name2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc(C(C)C(F)(F)F)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C25H21F6N5O/c1-3-37-13-20-35-22(33-16-8-6-15(7-9-16)14(2)24(26,27)28)17-10-11-19(34-23(17)36-20)21-18(25(29,30)31)5-4-12-32-21/h4-12,14H,3,13H2,1-2H3,(H,33,34,35,36)
InChIKeyOHAPGJBUAUUMTK-UHFFFAOYSA-N
XLogP7.05
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[4-(2-methyl-1-methyliminopropan-2-yl)phenyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 142908751
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11168118
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030168
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030085
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11547631
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030052
methyl 2-[[4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methoxy]acetate
CID 142908972
2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030130
[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
CID 71093827
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030037
7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030055

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11237732) is 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CCOCc1nc(Nc2ccc(C(C)C(F)(F)F)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.
What is the InChIKey of 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OHAPGJBUAUUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N5O/c1-3-37-13-20-35-22(33-16-8-6-15(7-9-16)14(2)24(26,27)28)17-10-11-19(34-23(17)36-20)21-18(25(29,30)31)5-4-12-32-21/h4-12,14H,3,13H2,1-2H3,(H,33,34,35,36).
What are the key properties of 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 521.47 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11237732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).