N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide

C26H26N4O2 — CID 44528356

IUPACN-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C1CCN(Cc2cccc3cc[nH]c23)C1)c1ccco1
InChIInChI=1S/C26H26N4O2/c31-26(24-5-2-14-32-24)28-21-6-7-23-19(15-21)9-13-30(23)22-10-12-29(17-22)16-20-4-1-3-18-8-11-27-25(18)20/h1-8,11,14-15,22,27H,9-10,12-13,16-17H2,(H,28,31)
InChIKeyAPKKFFOZTGMWRQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.65
Rot. Bonds5

About N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide

N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide (PubChem CID 44528356) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide
PubChem CID44528356
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C1CCN(Cc2cccc3cc[nH]c23)C1)c1ccco1
InChIInChI=1S/C26H26N4O2/c31-26(24-5-2-14-32-24)28-21-6-7-23-19(15-21)9-13-30(23)22-10-12-29(17-22)16-20-4-1-3-18-8-11-27-25(18)20/h1-8,11,14-15,22,27H,9-10,12-13,16-17H2,(H,28,31)
InChIKeyAPKKFFOZTGMWRQ-UHFFFAOYSA-N
XLogP4.65
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide (CID 44528356) is N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2c(c1)CCN2C1CCN(Cc2cccc3cc[nH]c23)C1)c1ccco1.
What is the InChIKey of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide?
The InChIKey is APKKFFOZTGMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(24-5-2-14-32-24)28-21-6-7-23-19(15-21)9-13-30(23)22-10-12-29(17-22)16-20-4-1-3-18-8-11-27-25(18)20/h1-8,11,14-15,22,27H,9-10,12-13,16-17H2,(H,28,31).
What are the key properties of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide?
N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 44528356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).