2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C26H19ClF2N6O — CID 11989449

IUPAC2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(CNc2ccc3c(Nc4ccncc4F)nc(-c4cc(Cl)ccc4F)nc3n2)cc1
InChIInChI=1S/C26H19ClF2N6O/c1-36-17-5-2-15(3-6-17)13-31-23-9-7-18-24(32-22-10-11-30-14-21(22)29)34-26(35-25(18)33-23)19-12-16(27)4-8-20(19)28/h2-12,14H,13H2,1H3,(H2,30,31,32,33,34,35)
InChIKeyXHSODBQAOOIABA-UHFFFAOYSA-N
MW504.93 g/mol
LogP6.38
Rot. Bonds7

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

2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 11989449) has the molecular formula C26H19ClF2N6O and a molecular weight of 504.93 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID11989449
Molecular FormulaC26H19ClF2N6O
Molecular Weight504.93 g/mol
Exact Mass504.13
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCOc1ccc(CNc2ccc3c(Nc4ccncc4F)nc(-c4cc(Cl)ccc4F)nc3n2)cc1
InChIInChI=1S/C26H19ClF2N6O/c1-36-17-5-2-15(3-6-17)13-31-23-9-7-18-24(32-22-10-11-30-14-21(22)29)34-26(35-25(18)33-23)19-12-16(27)4-8-20(19)28/h2-12,14H,13H2,1H3,(H2,30,31,32,33,34,35)
InChIKeyXHSODBQAOOIABA-UHFFFAOYSA-N
XLogP6.38
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Arylpyrido[2,3-d]pyrimidine deriv. 68
CID 5328170
6-Arylpyrido[2,3-d]pyrimidine deriv. 69
CID 5328171
SoRI 8897
CID 72509
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
5-Ethyl-6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462134
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849
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
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)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 11989449) is 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is COc1ccc(CNc2ccc3c(Nc4ccncc4F)nc(-c4cc(Cl)ccc4F)nc3n2)cc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is XHSODBQAOOIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N6O/c1-36-17-5-2-15(3-6-17)13-31-23-9-7-18-24(32-22-10-11-30-14-21(22)29)34-26(35-25(18)33-23)19-12-16(27)4-8-20(19)28/h2-12,14H,13H2,1H3,(H2,30,31,32,33,34,35).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 504.93 g/mol, XLogP of 6.38, 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)-4-N-(3-fluoro-4-pyridinyl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 11989449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).