(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H19N5O2 — CID 97265093

IUPAC(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cccc1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C18H19N5O2/c1-22-8-4-5-13(22)10-19-18(25)12-9-16(24)23(11-12)17-14-6-2-3-7-15(14)20-21-17/h2-8,12H,9-11H2,1H3,(H,19,25)(H,20,21)/t12-/m0/s1
InChIKeyXMRUQRQKOKBXSN-LBPRGKRZSA-N
MW337.38 g/mol
LogP1.57
Rot. Bonds4

About (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97265093) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97265093
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cccc1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C18H19N5O2/c1-22-8-4-5-13(22)10-19-18(25)12-9-16(24)23(11-12)17-14-6-2-3-7-15(14)20-21-17/h2-8,12H,9-11H2,1H3,(H,19,25)(H,20,21)/t12-/m0/s1
InChIKeyXMRUQRQKOKBXSN-LBPRGKRZSA-N
XLogP1.57
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97263867
(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
N-(1,3-benzodioxol-5-ylmethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465625
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 124855184
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255
(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 99754317
(3R)-N-cyclohexyl-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97264665
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97265093) is (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1cccc1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XMRUQRQKOKBXSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-8-4-5-13(22)10-19-18(25)12-9-16(24)23(11-12)17-14-6-2-3-7-15(14)20-21-17/h2-8,12H,9-11H2,1H3,(H,19,25)(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97265093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).