7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine

C24H23ClN6O4S — CID 22030189

IUPAC7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ncc(-c3ncccc3Cl)cc2n1
InChIInChI=1S/C24H23ClN6O4S/c1-34-15-21-29-20-13-16(22-19(25)3-2-8-26-22)14-27-23(20)24(30-21)28-17-4-6-18(7-5-17)36(32,33)31-9-11-35-12-10-31/h2-8,13-14H,9-12,15H2,1H3,(H,28,29,30)
InChIKeyQUUCHFVBMZVEBM-UHFFFAOYSA-N
MW527.01 g/mol
LogP3.65
Rot. Bonds7

About 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 22030189) has the molecular formula C24H23ClN6O4S and a molecular weight of 527.01 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID22030189
Molecular FormulaC24H23ClN6O4S
Molecular Weight527.01 g/mol
Exact Mass526.12
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ncc(-c3ncccc3Cl)cc2n1
InChIInChI=1S/C24H23ClN6O4S/c1-34-15-21-29-20-13-16(22-19(25)3-2-8-26-22)14-27-23(20)24(30-21)28-17-4-6-18(7-5-17)36(32,33)31-9-11-35-12-10-31/h2-8,13-14H,9-12,15H2,1H3,(H,28,29,30)
InChIKeyQUUCHFVBMZVEBM-UHFFFAOYSA-N
XLogP3.65
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.01
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 10217973
2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 174467108
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-propan-2-ylsulfonylphenyl)quinazolin-4-amine
CID 58665875
7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine
CID 142268884
CID 89260405
CID 89260405
7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 69449527
4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
CID 58455491
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
N-(4-morpholin-4-ylsulfonylphenyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56669814

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 22030189) is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine is COCc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ncc(-c3ncccc3Cl)cc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is QUUCHFVBMZVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O4S/c1-34-15-21-29-20-13-16(22-19(25)3-2-8-26-22)14-27-23(20)24(30-21)28-17-4-6-18(7-5-17)36(32,33)31-9-11-35-12-10-31/h2-8,13-14H,9-12,15H2,1H3,(H,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 527.01 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 22030189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).