N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

C15H19N5 — CID 66413174

IUPACN-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncn2C)c2ncccc12
InChIInChI=1S/C15H19N5/c1-3-16-7-12-9-20(10-13-8-17-11-19(13)2)15-14(12)5-4-6-18-15/h4-6,8-9,11,16H,3,7,10H2,1-2H3
InChIKeyKGJZMDKUVREROM-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.93
Rot. Bonds5

About N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66413174) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66413174
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncn2C)c2ncccc12
InChIInChI=1S/C15H19N5/c1-3-16-7-12-9-20(10-13-8-17-11-19(13)2)15-14(12)5-4-6-18-15/h4-6,8-9,11,16H,3,7,10H2,1-2H3
InChIKeyKGJZMDKUVREROM-UHFFFAOYSA-N
XLogP1.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413572
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
N-[[1-(2-pyrazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412190
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412784
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413176
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
butyl 2-[3-(ethylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66411609
N-[[1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411417
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66412959
N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66413174) is N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is CCNCc1cn(Cc2cncn2C)c2ncccc12.
What is the InChIKey of N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is KGJZMDKUVREROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-16-7-12-9-20(10-13-8-17-11-19(13)2)15-14(12)5-4-6-18-15/h4-6,8-9,11,16H,3,7,10H2,1-2H3.
What are the key properties of N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66413174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).