7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C24H21ClF3N5O — CID 11363797

IUPAC7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O/c1-14(2)12-34-13-20-32-22(30-16-7-5-15(6-8-16)24(26,27)28)17-9-10-19(31-23(17)33-20)21-18(25)4-3-11-29-21/h3-11,14H,12-13H2,1-2H3,(H,30,31,32,33)
InChIKeyRLXCTHRUTGQZHW-UHFFFAOYSA-N
MW487.91 g/mol
LogP6.68
Rot. Bonds7

About 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11363797) has the molecular formula C24H21ClF3N5O and a molecular weight of 487.91 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11363797
Molecular FormulaC24H21ClF3N5O
Molecular Weight487.91 g/mol
Exact Mass487.14
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O/c1-14(2)12-34-13-20-32-22(30-16-7-5-15(6-8-16)24(26,27)28)17-9-10-19(31-23(17)33-20)21-18(25)4-3-11-29-21/h3-11,14H,12-13H2,1-2H3,(H,30,31,32,33)
InChIKeyRLXCTHRUTGQZHW-UHFFFAOYSA-N
XLogP6.68
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.91
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11363797) is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CC(C)COCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is RLXCTHRUTGQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O/c1-14(2)12-34-13-20-32-22(30-16-7-5-15(6-8-16)24(26,27)28)17-9-10-19(31-23(17)33-20)21-18(25)4-3-11-29-21/h3-11,14H,12-13H2,1-2H3,(H,30,31,32,33).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 487.91 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11363797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).