1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

C15H17N3S — CID 66415887

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCc1cc(CNCc2c[nH]c3ncccc23)sc1C
InChIInChI=1S/C15H17N3S/c1-10-6-13(19-11(10)2)9-16-7-12-8-18-15-14(12)4-3-5-17-15/h3-6,8,16H,7,9H2,1-2H3,(H,17,18)
InChIKeyQIXDUEWHMBZPSP-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.53
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (PubChem CID 66415887) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
PubChem CID66415887
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCc1cc(CNCc2c[nH]c3ncccc23)sc1C
InChIInChI=1S/C15H17N3S/c1-10-6-13(19-11(10)2)9-16-7-12-8-18-15-14(12)4-3-5-17-15/h3-6,8,16H,7,9H2,1-2H3,(H,17,18)
InChIKeyQIXDUEWHMBZPSP-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine with MolForge

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Related Compounds

1-(5-bromothiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66416040
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097
4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
CID 107151609
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
2,5-difluoro-4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 103584688
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780
2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414117
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (CID 66415887) is 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is Cc1cc(CNCc2c[nH]c3ncccc23)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The InChIKey is QIXDUEWHMBZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-6-13(19-11(10)2)9-16-7-12-8-18-15-14(12)4-3-5-17-15/h3-6,8,16H,7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine has a molecular weight of 271.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 66415887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).