1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide

C27H24N4O3 — CID 122653543

IUPAC1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C27H24N4O3/c32-26(30-22-7-11-29-27(22)33)21-2-1-3-23-20(21)8-12-31(23)25-16-18(6-10-28-25)14-17-4-5-24-19(15-17)9-13-34-24/h1-6,9-10,13,15-16,22H,7-8,11-12,14H2,(H,29,33)(H,30,32)/t22-/m0/s1
InChIKeyDQNQVHLSBZMTDK-QFIPXVFZSA-N
MW452.51 g/mol
LogP3.73
Rot. Bonds5

About 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide

1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653543) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653543
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C27H24N4O3/c32-26(30-22-7-11-29-27(22)33)21-2-1-3-23-20(21)8-12-31(23)25-16-18(6-10-28-25)14-17-4-5-24-19(15-17)9-13-34-24/h1-6,9-10,13,15-16,22H,7-8,11-12,14H2,(H,29,33)(H,30,32)/t22-/m0/s1
InChIKeyDQNQVHLSBZMTDK-QFIPXVFZSA-N
XLogP3.73
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide (CID 122653543) is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide is O=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is DQNQVHLSBZMTDK-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H24N4O3/c32-26(30-22-7-11-29-27(22)33)21-2-1-3-23-20(21)8-12-31(23)25-16-18(6-10-28-25)14-17-4-5-24-19(15-17)9-13-34-24/h1-6,9-10,13,15-16,22H,7-8,11-12,14H2,(H,29,33)(H,30,32)/t22-/m0/s1.
What are the key properties of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide?
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).