[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride

C21H25ClN4O2 — CID 68867211

IUPAC[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCOc1cccc(Nc2ncc(C(=O)N3CCCCC3)c3c(C)c[nH]c23)c1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-12-22-19-18(14)17(21(26)25-9-4-3-5-10-25)13-23-20(19)24-15-7-6-8-16(11-15)27-2;/h6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,23,24);1H
InChIKeyAJPLAHBBXRUHLS-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.67
Rot. Bonds4

About [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride

[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 68867211) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID68867211
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCOc1cccc(Nc2ncc(C(=O)N3CCCCC3)c3c(C)c[nH]c23)c1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-12-22-19-18(14)17(21(26)25-9-4-3-5-10-25)13-23-20(19)24-15-7-6-8-16(11-15)27-2;/h6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,23,24);1H
InChIKeyAJPLAHBBXRUHLS-UHFFFAOYSA-N
XLogP4.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
3-[[5-methyl-4-(piperidine-1-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186178
[5-amino-2-(3-methoxyanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100648504
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
CID 163260959
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
N-(3-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 143151648
(3-methyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone
CID 69327327
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109193851
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181814
[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124946819

Frequently Asked Questions

What is the IUPAC name of [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride (CID 68867211) is [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride is COc1cccc(Nc2ncc(C(=O)N3CCCCC3)c3c(C)c[nH]c23)c1.Cl.
What is the InChIKey of [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is AJPLAHBBXRUHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-14-12-22-19-18(14)17(21(26)25-9-4-3-5-10-25)13-23-20(19)24-15-7-6-8-16(11-15)27-2;/h6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,23,24);1H.
What are the key properties of [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 68867211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).