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

C24H21ClF3N5O — CID 11547631

IUPAC7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(NCCc2ccccc2C(F)(F)F)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O/c1-2-34-14-20-32-22(30-13-11-15-6-3-4-7-17(15)24(26,27)28)16-9-10-19(31-23(16)33-20)21-18(25)8-5-12-29-21/h3-10,12H,2,11,13-14H2,1H3,(H,30,31,32,33)
InChIKeyHDOZWAHLSFRJJV-UHFFFAOYSA-N
MW487.91 g/mol
LogP5.95
Rot. Bonds8

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

7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11547631) has the molecular formula C24H21ClF3N5O and a molecular weight of 487.91 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11547631
Molecular FormulaC24H21ClF3N5O
Molecular Weight487.91 g/mol
Exact Mass487.14
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(NCCc2ccccc2C(F)(F)F)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O/c1-2-34-14-20-32-22(30-13-11-15-6-3-4-7-17(15)24(26,27)28)16-9-10-19(31-23(16)33-20)21-18(25)8-5-12-29-21/h3-10,12H,2,11,13-14H2,1H3,(H,30,31,32,33)
InChIKeyHDOZWAHLSFRJJV-UHFFFAOYSA-N
XLogP5.95
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.91
LogP ≤ 55.95
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-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11547631) is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is CCOCc1nc(NCCc2ccccc2C(F)(F)F)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HDOZWAHLSFRJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O/c1-2-34-14-20-32-22(30-13-11-15-6-3-4-7-17(15)24(26,27)28)16-9-10-19(31-23(16)33-20)21-18(25)8-5-12-29-21/h3-10,12H,2,11,13-14H2,1H3,(H,30,31,32,33).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 487.91 g/mol, XLogP of 5.95, 8 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-(ethoxymethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11547631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).