1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide

C16H15N5O2 — CID 144793273

IUPAC1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide
SMILESCN1CC[C@@H](C#Cc2ccnc(-n3ccc(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C16H15N5O2/c1-20-8-5-12(16(20)23)3-2-11-4-7-18-14(10-11)21-9-6-13(19-21)15(17)22/h4,6-7,9-10,12H,5,8H2,1H3,(H2,17,22)/t12-/m1/s1
InChIKeySYIBXFCVCPRCDO-GFCCVEGCSA-N
MW309.33 g/mol
LogP0.20
Rot. Bonds2

About 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide

1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 144793273) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID144793273
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide
SMILESCN1CC[C@@H](C#Cc2ccnc(-n3ccc(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C16H15N5O2/c1-20-8-5-12(16(20)23)3-2-11-4-7-18-14(10-11)21-9-6-13(19-21)15(17)22/h4,6-7,9-10,12H,5,8H2,1H3,(H2,17,22)/t12-/m1/s1
InChIKeySYIBXFCVCPRCDO-GFCCVEGCSA-N
XLogP0.20
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[butanoyl(methyl)amino]methyl]-1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
CID 144793035
2-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 123141770
6-methoxy-1-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793265
6-cyano-1-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793425
3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 170575085
ethyl 8-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxylate
CID 144794141
5-methanimidoyl-4-(methylamino)-6-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 144793679
3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
CID 144794103
5-amino-6-(2-methoxyethoxy)-2-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 144793656
2-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-morpholin-4-ylpyrimidine-4-carboxamide
CID 144793961
5-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 144793960
5-amino-2-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxan-4-yloxy)pyrimidine-4-carboxamide
CID 144793735

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide (CID 144793273) is 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide is CN1CC[C@@H](C#Cc2ccnc(-n3ccc(C(N)=O)n3)c2)C1=O.
What is the InChIKey of 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is SYIBXFCVCPRCDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20-8-5-12(16(20)23)3-2-11-4-7-18-14(10-11)21-9-6-13(19-21)15(17)22/h4,6-7,9-10,12H,5,8H2,1H3,(H2,17,22)/t12-/m1/s1.
What are the key properties of 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?
1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 144793273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).