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

C21H16ClF2N5O — CID 11258891

IUPAC7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(C(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C21H16ClF2N5O/c1-30-11-17-28-20(26-13-6-4-12(5-7-13)19(23)24)14-8-9-16(27-21(14)29-17)18-15(22)3-2-10-25-18/h2-10,19H,11H2,1H3,(H,26,27,28,29)
InChIKeyDINMCQXTKPIDFE-UHFFFAOYSA-N
MW427.84 g/mol
LogP5.57
Rot. Bonds6

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

7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11258891) has the molecular formula C21H16ClF2N5O and a molecular weight of 427.84 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11258891
Molecular FormulaC21H16ClF2N5O
Molecular Weight427.84 g/mol
Exact Mass427.10
IUPAC Name7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(C(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C21H16ClF2N5O/c1-30-11-17-28-20(26-13-6-4-12(5-7-13)19(23)24)14-8-9-16(27-21(14)29-17)18-15(22)3-2-10-25-18/h2-10,19H,11H2,1H3,(H,26,27,28,29)
InChIKeyDINMCQXTKPIDFE-UHFFFAOYSA-N
XLogP5.57
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.84
LogP ≤ 55.57
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)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11258891) is 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine is COCc1nc(Nc2ccc(C(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DINMCQXTKPIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N5O/c1-30-11-17-28-20(26-13-6-4-12(5-7-13)19(23)24)14-8-9-16(27-21(14)29-17)18-15(22)3-2-10-25-18/h2-10,19H,11H2,1H3,(H,26,27,28,29).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 427.84 g/mol, XLogP of 5.57, 6 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)-N-[4-(difluoromethyl)phenyl]-2-(methoxymethyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11258891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).