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

C25H27N5O3S — CID 22030130

IUPAC2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(COCC(C)C)nc2n1
InChIInChI=1S/C25H27N5O3S/c1-16(2)14-33-15-22-29-24(27-18-7-9-19(10-8-18)34(4,31)32)20-11-12-21(28-25(20)30-22)23-17(3)6-5-13-26-23/h5-13,16H,14-15H2,1-4H3,(H,27,28,29,30)
InChIKeyBMIZWMCZAGTTQM-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.71
Rot. Bonds8

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

2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 22030130) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID22030130
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(COCC(C)C)nc2n1
InChIInChI=1S/C25H27N5O3S/c1-16(2)14-33-15-22-29-24(27-18-7-9-19(10-8-18)34(4,31)32)20-11-12-21(28-25(20)30-22)23-17(3)6-5-13-26-23/h5-13,16H,14-15H2,1-4H3,(H,27,28,29,30)
InChIKeyBMIZWMCZAGTTQM-UHFFFAOYSA-N
XLogP4.71
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030055
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030037
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
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030085
[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
CID 71093827
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
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
2-(methoxymethyl)-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030435
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
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11168118
ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate
CID 58628200

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 22030130) is 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1cccnc1-c1ccc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(COCC(C)C)nc2n1.
What is the InChIKey of 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is BMIZWMCZAGTTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16(2)14-33-15-22-29-24(27-18-7-9-19(10-8-18)34(4,31)32)20-11-12-21(28-25(20)30-22)23-17(3)6-5-13-26-23/h5-13,16H,14-15H2,1-4H3,(H,27,28,29,30).
What are the key properties of 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 477.59 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22030130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).