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

C24H24ClN5O3S — CID 22030055

IUPAC7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(S(C)(=O)=O)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H24ClN5O3S/c1-15(2)13-33-14-21-29-23(27-16-6-8-17(9-7-16)34(3,31)32)18-10-11-20(28-24(18)30-21)22-19(25)5-4-12-26-22/h4-12,15H,13-14H2,1-3H3,(H,27,28,29,30)
InChIKeyZTYKFVBBJBWBNP-UHFFFAOYSA-N
MW498.01 g/mol
LogP5.06
Rot. Bonds8

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

7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 22030055) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID22030055
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)COCc1nc(Nc2ccc(S(C)(=O)=O)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H24ClN5O3S/c1-15(2)13-33-14-21-29-23(27-16-6-8-17(9-7-16)34(3,31)32)18-10-11-20(28-24(18)30-21)22-19(25)5-4-12-26-22/h4-12,15H,13-14H2,1-3H3,(H,27,28,29,30)
InChIKeyZTYKFVBBJBWBNP-UHFFFAOYSA-N
XLogP5.06
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.01
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030130
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030037
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030085
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine
CID 11487850
2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11237732
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030168
2-(methoxymethyl)-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030435
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 58970453
1-[3,3-dimethyl-6-[[2-(2-methylpropoxymethyl)-7-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanone
CID 11340937
1-(2-chlorophenyl)-6-(2-methylpropoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58949647
[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
CID 71093827

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 22030055) is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)COCc1nc(Nc2ccc(S(C)(=O)=O)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZTYKFVBBJBWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-15(2)13-33-14-21-29-23(27-16-6-8-17(9-7-16)34(3,31)32)18-10-11-20(28-24(18)30-21)22-19(25)5-4-12-26-22/h4-12,15H,13-14H2,1-3H3,(H,27,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 498.01 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22030055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).