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

C21H15ClF3N5O2 — CID 22030252

IUPAC7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C21H15ClF3N5O2/c1-31-11-17-29-19(27-12-4-6-13(7-5-12)32-21(23,24)25)14-8-9-16(28-20(14)30-17)18-15(22)3-2-10-26-18/h2-10H,11H2,1H3,(H,27,28,29,30)
InChIKeyANFWMPKIUAAFOS-UHFFFAOYSA-N
MW461.83 g/mol
LogP5.53
Rot. Bonds6

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

7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 22030252) has the molecular formula C21H15ClF3N5O2 and a molecular weight of 461.83 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID22030252
Molecular FormulaC21H15ClF3N5O2
Molecular Weight461.83 g/mol
Exact Mass461.09
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C21H15ClF3N5O2/c1-31-11-17-29-19(27-12-4-6-13(7-5-12)32-21(23,24)25)14-8-9-16(28-20(14)30-17)18-15(22)3-2-10-26-18/h2-10H,11H2,1H3,(H,27,28,29,30)
InChIKeyANFWMPKIUAAFOS-UHFFFAOYSA-N
XLogP5.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.83
LogP ≤ 55.53
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-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 22030252) is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine is COCc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ANFWMPKIUAAFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O2/c1-31-11-17-29-19(27-12-4-6-13(7-5-12)32-21(23,24)25)14-8-9-16(28-20(14)30-17)18-15(22)3-2-10-26-18/h2-10H,11H2,1H3,(H,27,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 461.83 g/mol, XLogP of 5.53, 6 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-(methoxymethyl)-N-[4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22030252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).