2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine

C26H20ClFN6O — CID 11989447

IUPAC2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(CNc2ccc3c(Nc4ccncc4)nc(-c4cc(Cl)ccc4F)nc3n2)cc1
InChIInChI=1S/C26H20ClFN6O/c1-35-19-5-2-16(3-6-19)15-30-23-9-7-20-24(31-18-10-12-29-13-11-18)33-26(34-25(20)32-23)21-14-17(27)4-8-22(21)28/h2-14H,15H2,1H3,(H2,29,30,31,32,33,34)
InChIKeyGLIDAYHMFHNPJW-UHFFFAOYSA-N
MW486.94 g/mol
LogP6.24
Rot. Bonds7

About 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine

2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 11989447) has the molecular formula C26H20ClFN6O and a molecular weight of 486.94 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID11989447
Molecular FormulaC26H20ClFN6O
Molecular Weight486.94 g/mol
Exact Mass486.14
IUPAC Name2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(CNc2ccc3c(Nc4ccncc4)nc(-c4cc(Cl)ccc4F)nc3n2)cc1
InChIInChI=1S/C26H20ClFN6O/c1-35-19-5-2-16(3-6-19)15-30-23-9-7-20-24(31-18-10-12-29-13-11-18)33-26(34-25(20)32-23)21-14-17(27)4-8-22(21)28/h2-14H,15H2,1H3,(H2,29,30,31,32,33,34)
InChIKeyGLIDAYHMFHNPJW-UHFFFAOYSA-N
XLogP6.24
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.94
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-Arylpyrido[2,3-d]pyrimidine deriv. 68
CID 5328170
6-Arylpyrido[2,3-d]pyrimidine deriv. 69
CID 5328171
6-[(5-Methoxy-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457336
13-N-[(3-chloro-4-methoxyphenyl)methyl]-5-ethyl-10-N-(pyridin-4-ylmethyl)-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaene-10,13-diamine
CID 9956576
6-[(4-Chloro-2-methoxy-5-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462117
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849
6-[(3-Methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 511805
7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 1490527
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178939
N-(3-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 71296003
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117826054
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827310

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine (CID 11989447) is 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine is COc1ccc(CNc2ccc3c(Nc4ccncc4)nc(-c4cc(Cl)ccc4F)nc3n2)cc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is GLIDAYHMFHNPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN6O/c1-35-19-5-2-16(3-6-19)15-30-23-9-7-20-24(31-18-10-12-29-13-11-18)33-26(34-25(20)32-23)21-14-17(27)4-8-22(21)28/h2-14H,15H2,1H3,(H2,29,30,31,32,33,34).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine?
2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 486.94 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 11989447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).