2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

C26H27N7O3S — CID 58578146

IUPAC2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESO=S(=O)(c1cccc2c1CN(c1nc(NCc3ccncc3)c3ccncc3n1)CC2)N1CCOCC1
InChIInChI=1S/C26H27N7O3S/c34-37(35,33-12-14-36-15-13-33)24-3-1-2-20-7-11-32(18-22(20)24)26-30-23-17-28-10-6-21(23)25(31-26)29-16-19-4-8-27-9-5-19/h1-6,8-10,17H,7,11-16,18H2,(H,29,30,31)
InChIKeyFEMJLSBQALNIAX-UHFFFAOYSA-N
MW517.62 g/mol
LogP2.62
Rot. Bonds6

About 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 58578146) has the molecular formula C26H27N7O3S and a molecular weight of 517.62 g/mol. Its IUPAC name is 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID58578146
Molecular FormulaC26H27N7O3S
Molecular Weight517.62 g/mol
Exact Mass517.19
IUPAC Name2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESO=S(=O)(c1cccc2c1CN(c1nc(NCc3ccncc3)c3ccncc3n1)CC2)N1CCOCC1
InChIInChI=1S/C26H27N7O3S/c34-37(35,33-12-14-36-15-13-33)24-3-1-2-20-7-11-32(18-22(20)24)26-30-23-17-28-10-6-21(23)25(31-26)29-16-19-4-8-27-9-5-19/h1-6,8-10,17H,7,11-16,18H2,(H,29,30,31)
InChIKeyFEMJLSBQALNIAX-UHFFFAOYSA-N
XLogP2.62
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.62
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
Sovleplenib
CID 71113742
N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687
1-[4-(Diaminomethylideneamino)sulfonylphenyl]-3-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 137658179
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 137658961
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332
n-(6-(6-Aminopyridin-3-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321409
5-[2-Morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine
CID 59507597
N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507919
N-(3-morpholin-4-ylsulfonylphenyl)-5-phenyl-2-pyrimidin-5-ylquinazolin-4-amine
CID 68204939
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494014
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494046

Frequently Asked Questions

What is the IUPAC name of 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 58578146) is 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is O=S(=O)(c1cccc2c1CN(c1nc(NCc3ccncc3)c3ccncc3n1)CC2)N1CCOCC1.
What is the InChIKey of 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FEMJLSBQALNIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3S/c34-37(35,33-12-14-36-15-13-33)24-3-1-2-20-7-11-32(18-22(20)24)26-30-23-17-28-10-6-21(23)25(31-26)29-16-19-4-8-27-9-5-19/h1-6,8-10,17H,7,11-16,18H2,(H,29,30,31).
What are the key properties of 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 517.62 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58578146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).