2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline

C22H25N3 — CID 11603087

IUPAC2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1c(C)n(CC2CC2)c2ccnc(N3CCc4ccccc4C3)c12
InChIInChI=1S/C22H25N3/c1-15-16(2)25(13-17-7-8-17)20-9-11-23-22(21(15)20)24-12-10-18-5-3-4-6-19(18)14-24/h3-6,9,11,17H,7-8,10,12-14H2,1-2H3
InChIKeyQXVKFZLDHRGESM-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.63
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline

2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 11603087) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID11603087
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1c(C)n(CC2CC2)c2ccnc(N3CCc4ccccc4C3)c12
InChIInChI=1S/C22H25N3/c1-15-16(2)25(13-17-7-8-17)20-9-11-23-22(21(15)20)24-12-10-18-5-3-4-6-19(18)14-24/h3-6,9,11,17H,7-8,10,12-14H2,1-2H3
InChIKeyQXVKFZLDHRGESM-UHFFFAOYSA-N
XLogP4.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[1-(cyclopropylmethyl)-2-methyl-3-methylsulfonylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 67142209
2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683137
2-(1,3-dibenzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11525854
2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 150332027
2-[3-benzyl-1-[(2-fluorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 11540566
2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142273
2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142937
chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 141231751
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
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141169
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 11495313
sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline
CID 23689710

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 11603087) is 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline is Cc1c(C)n(CC2CC2)c2ccnc(N3CCc4ccccc4C3)c12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is QXVKFZLDHRGESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-15-16(2)25(13-17-7-8-17)20-9-11-23-22(21(15)20)24-12-10-18-5-3-4-6-19(18)14-24/h3-6,9,11,17H,7-8,10,12-14H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 331.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11603087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).