(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C18H23N5O3 — CID 97265838

IUPAC(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C18H23N5O3/c24-16-11-13(18(25)19-5-6-22-7-9-26-10-8-22)12-23(16)17-14-3-1-2-4-15(14)20-21-17/h1-4,13H,5-12H2,(H,19,25)(H,20,21)/t13-/m0/s1
InChIKeyMQSKIMKWGLKUQW-ZDUSSCGKSA-N
MW357.41 g/mol
LogP0.36
Rot. Bonds5

About (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97265838) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97265838
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C18H23N5O3/c24-16-11-13(18(25)19-5-6-22-7-9-26-10-8-22)12-23(16)17-14-3-1-2-4-15(14)20-21-17/h1-4,13H,5-12H2,(H,19,25)(H,20,21)/t13-/m0/s1
InChIKeyMQSKIMKWGLKUQW-ZDUSSCGKSA-N
XLogP0.36
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 97265838) is (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MQSKIMKWGLKUQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-16-11-13(18(25)19-5-6-22-7-9-26-10-8-22)12-23(16)17-14-3-1-2-4-15(14)20-21-17/h1-4,13H,5-12H2,(H,19,25)(H,20,21)/t13-/m0/s1.
What are the key properties of (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97265838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).