4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H23ClN4O3 — CID 157310338

IUPAC4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1
InChIInChI=1S/C23H23ClN4O3/c1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28/h5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27)
InChIKeyRPYGMJGJQCKYNI-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.56
Rot. Bonds3

About 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 157310338) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID157310338
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1
InChIInChI=1S/C23H23ClN4O3/c1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28/h5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27)
InChIKeyRPYGMJGJQCKYNI-UHFFFAOYSA-N
XLogP3.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2Z)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 137636187
N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52919035
[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156015131
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156016018
cis-(5-Chloro-2,3-dihydrobenzofuran-2-yl)(4-methyl-3-(methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methanone
CID 49856322
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 71724989
[7-(2-Amino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156016407
US10072001, Example 116
CID 118537380
US10072001, Example 118
CID 118537479
US10072001, Example 117
CID 118537481
US10072001, Example 60
CID 118537655
US11524968, Example 352
CID 138560736

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 157310338) is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.
What is the InChIKey of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is RPYGMJGJQCKYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28/h5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157310338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).