N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride

C24H26ClN3 — CID 67140950

IUPACN-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride
SMILESCc1cccc(Cn2c(C)c(C)c3ccnc(NCc4ccccc4)c32)c1.Cl
InChIInChI=1S/C24H25N3.ClH/c1-17-8-7-11-21(14-17)16-27-19(3)18(2)22-12-13-25-24(23(22)27)26-15-20-9-5-4-6-10-20;/h4-14H,15-16H2,1-3H3,(H,25,26);1H
InChIKeyUBBGGLVTBWCBGO-UHFFFAOYSA-N
MW391.95 g/mol
LogP6.04
Rot. Bonds5

About N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride

N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride (PubChem CID 67140950) has the molecular formula C24H26ClN3 and a molecular weight of 391.95 g/mol. Its IUPAC name is N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride
PubChem CID67140950
Molecular FormulaC24H26ClN3
Molecular Weight391.95 g/mol
Exact Mass391.18
IUPAC NameN-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride
SMILESCc1cccc(Cn2c(C)c(C)c3ccnc(NCc4ccccc4)c32)c1.Cl
InChIInChI=1S/C24H25N3.ClH/c1-17-8-7-11-21(14-17)16-27-19(3)18(2)22-12-13-25-24(23(22)27)26-15-20-9-5-4-6-10-20;/h4-14H,15-16H2,1-3H3,(H,25,26);1H
InChIKeyUBBGGLVTBWCBGO-UHFFFAOYSA-N
XLogP6.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.95
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
The IUPAC name of N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride (CID 67140950) is N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride.
What is the SMILES notation for N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
The canonical SMILES for N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride is Cc1cccc(Cn2c(C)c(C)c3ccnc(NCc4ccccc4)c32)c1.Cl.
What is the InChIKey of N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
The InChIKey is UBBGGLVTBWCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3.ClH/c1-17-8-7-11-21(14-17)16-27-19(3)18(2)22-12-13-25-24(23(22)27)26-15-20-9-5-4-6-10-20;/h4-14H,15-16H2,1-3H3,(H,25,26);1H.
What are the key properties of N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 67140950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).