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

C24H21ClF3N5O2 — CID 23537108

IUPAC7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O2/c1-14(2)12-34-13-20-32-22(30-15-5-7-16(8-6-15)35-24(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)
InChIKeyFQPVLIHHQLTGPU-UHFFFAOYSA-N
MW503.91 g/mol
LogP6.55
Rot. Bonds8

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

7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 23537108) has the molecular formula C24H21ClF3N5O2 and a molecular weight of 503.91 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID23537108
Molecular FormulaC24H21ClF3N5O2
Molecular Weight503.91 g/mol
Exact Mass503.13
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O2/c1-14(2)12-34-13-20-32-22(30-15-5-7-16(8-6-15)35-24(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)
InChIKeyFQPVLIHHQLTGPU-UHFFFAOYSA-N
XLogP6.55
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.91
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 23537108) is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CC(C)COCc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FQPVLIHHQLTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O2/c1-14(2)12-34-13-20-32-22(30-15-5-7-16(8-6-15)35-24(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-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 503.91 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23537108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).