5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C18H15Cl2N3O3 — CID 76852796

IUPAC5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)OCCO1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-3-1-12(2-4-13)18(25-5-6-26-18)10-22-17(24)14-7-11-8-16(20)21-9-15(11)23-14/h1-4,7-9,23H,5-6,10H2,(H,22,24)
InChIKeyWNVJJRDKVDRBDE-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 76852796) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID76852796
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)OCCO1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-3-1-12(2-4-13)18(25-5-6-26-18)10-22-17(24)14-7-11-8-16(20)21-9-15(11)23-14/h1-4,7-9,23H,5-6,10H2,(H,22,24)
InChIKeyWNVJJRDKVDRBDE-UHFFFAOYSA-N
XLogP3.50
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 44630703
ethyl 7-chloro-1H-pyrrolo(2,3-c)pyridine-2-carboxylate
CID 46839972
N-[2-(4-chlorophenyl)oxolan-3-yl]-1H-pyrrole-2-carboxamide
CID 132284031
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 11190015
5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [2-(1,4-dioxa-7-aza-spiro[4.5]dec-7-yl)-1-(S)-(4-fluorobenzyl)-2-oxoethyl]amide
CID 11283170
5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-(S)-(4-fluorobenzyl)-2-oxoethyl]amide
CID 11306314
5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [2-(4-fluorophenyl)-2-hydroxyethyl]amide
CID 11348194
5-chloro-N-[(2S)-1-(1,4-dioxa-10-azaspiro[4.5]decan-10-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57550109
5-chloro-N-[3-(4-fluorophenyl)-1-oxo-1-(4-phenylmethoxypiperidin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753637
ethyl (2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 59753673
5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [2-(4-benzyloxypiperidin-1-yl)-1-(S)-(4-fluorobenzyl)-2-oxoethyl]amide
CID 59753758
5-Chloro-1H-indole-2-carboxylic acid [2-(3,4-difluorophenyl)-[1,3]dioxolan-2-ylmethyl]amide
CID 67094327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 76852796) is 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)OCCO1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is WNVJJRDKVDRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-13-3-1-12(2-4-13)18(25-5-6-26-18)10-22-17(24)14-7-11-8-16(20)21-9-15(11)23-14/h1-4,7-9,23H,5-6,10H2,(H,22,24).
What are the key properties of 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 76852796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).