2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

C21H25ClN4 — CID 142683137

IUPAC2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1c(C)n(CC2CC2)c2c(N3CCc4ccccc4C3)nncc12.Cl
InChIInChI=1S/C21H24N4.ClH/c1-14-15(2)25(12-16-7-8-16)20-19(14)11-22-23-21(20)24-10-9-17-5-3-4-6-18(17)13-24;/h3-6,11,16H,7-10,12-13H2,1-2H3;1H
InChIKeyLSSMREVXTRKFEK-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.44
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 142683137) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID142683137
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1c(C)n(CC2CC2)c2c(N3CCc4ccccc4C3)nncc12.Cl
InChIInChI=1S/C21H24N4.ClH/c1-14-15(2)25(12-16-7-8-16)20-19(14)11-22-23-21(20)24-10-9-17-5-3-4-6-18(17)13-24;/h3-6,11,16H,7-10,12-13H2,1-2H3;1H
InChIKeyLSSMREVXTRKFEK-UHFFFAOYSA-N
XLogP4.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 142683137) is 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is Cc1c(C)n(CC2CC2)c2c(N3CCc4ccccc4C3)nncc12.Cl.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is LSSMREVXTRKFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4.ClH/c1-14-15(2)25(12-16-7-8-16)20-19(14)11-22-23-21(20)24-10-9-17-5-3-4-6-18(17)13-24;/h3-6,11,16H,7-10,12-13H2,1-2H3;1H.
What are the key properties of 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 142683137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).