4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine

C19H24N6 — CID 174534437

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine
SMILESCNc1c(NC)n(NC)c2ccnc(N3CCc4ccccc4C3)c12
InChIInChI=1S/C19H24N6/c1-20-17-16-15(25(22-3)19(17)21-2)8-10-23-18(16)24-11-9-13-6-4-5-7-14(13)12-24/h4-8,10,20-22H,9,11-12H2,1-3H3
InChIKeyTZCQEVGHROKESU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.86
Rot. Bonds4

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine (PubChem CID 174534437) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine
PubChem CID174534437
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine
SMILESCNc1c(NC)n(NC)c2ccnc(N3CCc4ccccc4C3)c12
InChIInChI=1S/C19H24N6/c1-20-17-16-15(25(22-3)19(17)21-2)8-10-23-18(16)24-11-9-13-6-4-5-7-14(13)12-24/h4-8,10,20-22H,9,11-12H2,1-3H3
InChIKeyTZCQEVGHROKESU-UHFFFAOYSA-N
XLogP2.86
TPSA57.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 150332027
2-(1,3-dibenzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11525854
2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 11603087
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
2-[3-benzyl-1-[(2-fluorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 11540566
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline
CID 23689710
chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 141231751
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141169
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine (CID 174534437) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine is CNc1c(NC)n(NC)c2ccnc(N3CCc4ccccc4C3)c12.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine?
The InChIKey is TZCQEVGHROKESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-20-17-16-15(25(22-3)19(17)21-2)8-10-23-18(16)24-11-9-13-6-4-5-7-14(13)12-24/h4-8,10,20-22H,9,11-12H2,1-3H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine has a molecular weight of 336.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N,2-N,3-N-trimethylpyrrolo[3,2-c]pyridine-1,2,3-triamine is sourced from PubChem (CID 174534437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).