(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C23H23N5O3 — CID 99754317

IUPAC(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2c(ccn2CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1
InChIInChI=1S/C23H23N5O3/c1-31-17-6-7-20-15(12-17)8-10-27(20)11-9-24-23(30)16-13-21(29)28(14-16)22-18-4-2-3-5-19(18)25-26-22/h2-8,10,12,16H,9,11,13-14H2,1H3,(H,24,30)(H,25,26)/t16-/m1/s1
InChIKeySLJSAKJFPPDITL-MRXNPFEDSA-N
MW417.47 g/mol
LogP2.70
Rot. Bonds6

About (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 99754317) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID99754317
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2c(ccn2CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1
InChIInChI=1S/C23H23N5O3/c1-31-17-6-7-20-15(12-17)8-10-27(20)11-9-24-23(30)16-13-21(29)28(14-16)22-18-4-2-3-5-19(18)25-26-22/h2-8,10,12,16H,9,11,13-14H2,1H3,(H,24,30)(H,25,26)/t16-/m1/s1
InChIKeySLJSAKJFPPDITL-MRXNPFEDSA-N
XLogP2.70
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 71701544
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
(3R)-1-(1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97265001
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97429696
ethyl 2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 99754212
1-(6-bromo-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 71707692
1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 71708610
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 99754317) is (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc2c(ccn2CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c1.
What is the InChIKey of (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SLJSAKJFPPDITL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-31-17-6-7-20-15(12-17)8-10-27(20)11-9-24-23(30)16-13-21(29)28(14-16)22-18-4-2-3-5-19(18)25-26-22/h2-8,10,12,16H,9,11,13-14H2,1H3,(H,24,30)(H,25,26)/t16-/m1/s1.
What are the key properties of (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99754317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).