(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C18H17N5O2 — CID 99754260

IUPAC(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)nc1
InChIInChI=1S/C18H17N5O2/c1-11-6-7-15(19-9-11)20-18(25)12-8-16(24)23(10-12)17-13-4-2-3-5-14(13)21-22-17/h2-7,9,12H,8,10H2,1H3,(H,21,22)(H,19,20,25)/t12-/m0/s1
InChIKeyBQJQMYWYTNTQHO-LBPRGKRZSA-N
MW335.37 g/mol
LogP2.26
Rot. Bonds3

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

(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99754260) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99754260
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)nc1
InChIInChI=1S/C18H17N5O2/c1-11-6-7-15(19-9-11)20-18(25)12-8-16(24)23(10-12)17-13-4-2-3-5-14(13)21-22-17/h2-7,9,12H,8,10H2,1H3,(H,21,22)(H,19,20,25)/t12-/m0/s1
InChIKeyBQJQMYWYTNTQHO-LBPRGKRZSA-N
XLogP2.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465842
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255
(3R)-N-cyclohexyl-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97264665
1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 51265881
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 71707774
(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
ethyl 2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 99754212
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 124855184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 99754260) is (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)nc1.
What is the InChIKey of (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BQJQMYWYTNTQHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-6-7-15(19-9-11)20-18(25)12-8-16(24)23(10-12)17-13-4-2-3-5-14(13)21-22-17/h2-7,9,12H,8,10H2,1H3,(H,21,22)(H,19,20,25)/t12-/m0/s1.
What are the key properties of (3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.26, 3 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-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99754260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).