5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C22H23ClN4O2 — CID 166789224

IUPAC5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1
InChIInChI=1S/C22H23ClN4O2/c1-12-8-15(2-5-24-12)27-22(28)19-10-13-9-14(23)11-18(20(13)29-19)16-3-6-25-21-17(16)4-7-26-21/h3-4,6-7,9,11-12,15,19,24H,2,5,8,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyKRWGTCOCBGMVJA-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.44
Rot. Bonds3

About 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 166789224) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID166789224
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1
InChIInChI=1S/C22H23ClN4O2/c1-12-8-15(2-5-24-12)27-22(28)19-10-13-9-14(23)11-18(20(13)29-19)16-3-6-25-21-17(16)4-7-26-21/h3-4,6-7,9,11-12,15,19,24H,2,5,8,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyKRWGTCOCBGMVJA-UHFFFAOYSA-N
XLogP3.44
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 162469985
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
CID 162469809
[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone
CID 159058083
(R)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanol
CID 166789421
[(2S)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 158311600
(4-benzyl-4-hydroxypiperidin-1-yl)-[(2S)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 161272637
[5-chloro-7-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157341202
3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
CID 159656495
[5-chloro-2-methyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 158840347
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(2-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120602247
N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 160797881

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 166789224) is 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC1CC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.
What is the InChIKey of 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KRWGTCOCBGMVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-12-8-15(2-5-24-12)27-22(28)19-10-13-9-14(23)11-18(20(13)29-19)16-3-6-25-21-17(16)4-7-26-21/h3-4,6-7,9,11-12,15,19,24H,2,5,8,10H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpiperidin-4-yl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166789224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).