[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol

C21H27N3O — CID 67421838

IUPAC[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCCCn1c(C)c(CO)c2ccnc(NCc3c(C)cccc3C)c21
InChIInChI=1S/C21H27N3O/c1-5-11-24-16(4)19(13-25)17-9-10-22-21(20(17)24)23-12-18-14(2)7-6-8-15(18)3/h6-10,25H,5,11-13H2,1-4H3,(H,22,23)
InChIKeyBTSLTZTYZCOTQR-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.48
Rot. Bonds6

About [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol

[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol (PubChem CID 67421838) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
PubChem CID67421838
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCCCn1c(C)c(CO)c2ccnc(NCc3c(C)cccc3C)c21
InChIInChI=1S/C21H27N3O/c1-5-11-24-16(4)19(13-25)17-9-10-22-21(20(17)24)23-12-18-14(2)7-6-8-15(18)3/h6-10,25H,5,11-13H2,1-4H3,(H,22,23)
InChIKeyBTSLTZTYZCOTQR-UHFFFAOYSA-N
XLogP4.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol with MolForge

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Related Compounds

[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
CID 67422702
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine
CID 67141915
2-methyl-7-[(2-methylphenyl)methylamino]-1-propylpyrrolo[2,3-c]pyridine-3-carbaldehyde
CID 87392794
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
N-benzyl-1-but-3-enyl-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67142843
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689
N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67140950
2-[(5-methylisoquinolin-1-yl)amino]acetic acid
CID 82570882
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
N-benzyl-1-[(4-tert-butylphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67141610
N,1-bis[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67141660
1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 178179413

Frequently Asked Questions

What is the IUPAC name of [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
The IUPAC name of [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol (CID 67421838) is [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol is CCCn1c(C)c(CO)c2ccnc(NCc3c(C)cccc3C)c21.
What is the InChIKey of [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
The InChIKey is BTSLTZTYZCOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-5-11-24-16(4)19(13-25)17-9-10-22-21(20(17)24)23-12-18-14(2)7-6-8-15(18)3/h6-10,25H,5,11-13H2,1-4H3,(H,22,23).
What are the key properties of [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
[7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol has a molecular weight of 337.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2,6-dimethylphenyl)methylamino]-2-methyl-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 67421838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).