1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one

C18H27N3O — CID 177267602

IUPAC1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one
SMILESCC(=O)Cc1nccc2[nH]cc(CCN(C(C)C)C(C)C)c12
InChIInChI=1S/C18H27N3O/c1-12(2)21(13(3)4)9-7-15-11-20-16-6-8-19-17(18(15)16)10-14(5)22/h6,8,11-13,20H,7,9-10H2,1-5H3
InChIKeyCYQKHZXBOJMURO-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.36
Rot. Bonds7

About 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one

1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one (PubChem CID 177267602) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one
PubChem CID177267602
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one
SMILESCC(=O)Cc1nccc2[nH]cc(CCN(C(C)C)C(C)C)c12
InChIInChI=1S/C18H27N3O/c1-12(2)21(13(3)4)9-7-15-11-20-16-6-8-19-17(18(15)16)10-14(5)22/h6,8,11-13,20H,7,9-10H2,1-5H3
InChIKeyCYQKHZXBOJMURO-UHFFFAOYSA-N
XLogP3.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]pent-4-en-2-one;methanol
CID 164541097
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] tetradecanoate
CID 163393164
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
(E)-4-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobut-2-enoic acid
CID 162510635
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
5-[[3-[2-(diethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid;5-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid;5-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid;5-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid
CID 164968602
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one?
The IUPAC name of 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one (CID 177267602) is 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one.
What is the SMILES notation for 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one?
The canonical SMILES for 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one is CC(=O)Cc1nccc2[nH]cc(CCN(C(C)C)C(C)C)c12.
What is the InChIKey of 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one?
The InChIKey is CYQKHZXBOJMURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-12(2)21(13(3)4)9-7-15-11-20-16-6-8-19-17(18(15)16)10-14(5)22/h6,8,11-13,20H,7,9-10H2,1-5H3.
What are the key properties of 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one?
1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]propan-2-one is sourced from PubChem (CID 177267602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).