7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine

C24H23ClN6 — CID 11201271

IUPAC7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCN1Cc2cc(Nc3ncnc4cc(-c5ncccc5Cl)cnc34)ccc2C(C)(C)C1
InChIInChI=1S/C24H23ClN6/c1-24(2)13-31(3)12-16-9-17(6-7-18(16)24)30-23-22-20(28-14-29-23)10-15(11-27-22)21-19(25)5-4-8-26-21/h4-11,14H,12-13H2,1-3H3,(H,28,29,30)
InChIKeyXEHLWBSIMLJLOY-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.21
Rot. Bonds3

About 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 11201271) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID11201271
Molecular FormulaC24H23ClN6
Molecular Weight430.94 g/mol
Exact Mass430.17
IUPAC Name7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCN1Cc2cc(Nc3ncnc4cc(-c5ncccc5Cl)cnc34)ccc2C(C)(C)C1
InChIInChI=1S/C24H23ClN6/c1-24(2)13-31(3)12-16-9-17(6-7-18(16)24)30-23-22-20(28-14-29-23)10-15(11-27-22)21-19(25)5-4-8-26-21/h4-11,14H,12-13H2,1-3H3,(H,28,29,30)
InChIKeyXEHLWBSIMLJLOY-UHFFFAOYSA-N
XLogP5.21
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

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
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 10070729
2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazolin-4-amine
CID 69448693
N-[4-tert-butyl-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537191
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 22030189
N-[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537186
4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine
CID 170533413
2-[5-[[4,4-dimethyl-2-(3-piperidin-1-ylpropyl)-1,3-dihydroisoquinolin-7-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]pyridine-3-thiol
CID 71072188
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181
N-[4-tert-butyl-3-[3-(2-methoxyethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030013
2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane
CID 143323519
6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
CID 71223923

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 11201271) is 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine is CN1Cc2cc(Nc3ncnc4cc(-c5ncccc5Cl)cnc34)ccc2C(C)(C)C1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is XEHLWBSIMLJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6/c1-24(2)13-31(3)12-16-9-17(6-7-18(16)24)30-23-22-20(28-14-29-23)10-15(11-27-22)21-19(25)5-4-8-26-21/h4-11,14H,12-13H2,1-3H3,(H,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 430.94 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11201271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).