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

C23H21ClFN5O — CID 11235966

IUPAC7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C23H21ClFN5O/c1-14(2)12-31-13-20-29-22(27-16-7-5-15(25)6-8-16)17-9-10-19(28-23(17)30-20)21-18(24)4-3-11-26-21/h3-11,14H,12-13H2,1-2H3,(H,27,28,29,30)
InChIKeyJXMMCAYCCHFUIF-UHFFFAOYSA-N
MW437.91 g/mol
LogP5.80
Rot. Bonds7

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

7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11235966) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11235966
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C23H21ClFN5O/c1-14(2)12-31-13-20-29-22(27-16-7-5-15(25)6-8-16)17-9-10-19(28-23(17)30-20)21-18(24)4-3-11-26-21/h3-11,14H,12-13H2,1-2H3,(H,27,28,29,30)
InChIKeyJXMMCAYCCHFUIF-UHFFFAOYSA-N
XLogP5.80
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.80
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-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11235966) is 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)COCc1nc(Nc2ccc(F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JXMMCAYCCHFUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-14(2)12-31-13-20-29-22(27-16-7-5-15(25)6-8-16)17-9-10-19(28-23(17)30-20)21-18(24)4-3-11-26-21/h3-11,14H,12-13H2,1-2H3,(H,27,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 437.91 g/mol, XLogP of 5.80, 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)-N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11235966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).