6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide

C19H14FN5O3 — CID 123729041

IUPAC6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(C#CC3(O)CCNC3=O)ccn2)c2cc(F)ccc12
InChIInChI=1S/C19H14FN5O3/c20-12-1-2-13-14(10-12)25(24-16(13)17(21)26)15-9-11(4-7-22-15)3-5-19(28)6-8-23-18(19)27/h1-2,4,7,9-10,28H,6,8H2,(H2,21,26)(H,23,27)
InChIKeyHRELDZAVOAFSRI-UHFFFAOYSA-N
MW379.35 g/mol
LogP0.26
Rot. Bonds2

About 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide

6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide (PubChem CID 123729041) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide
PubChem CID123729041
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(C#CC3(O)CCNC3=O)ccn2)c2cc(F)ccc12
InChIInChI=1S/C19H14FN5O3/c20-12-1-2-13-14(10-12)25(24-16(13)17(21)26)15-9-11(4-7-22-15)3-5-19(28)6-8-23-18(19)27/h1-2,4,7,9-10,28H,6,8H2,(H2,21,26)(H,23,27)
InChIKeyHRELDZAVOAFSRI-UHFFFAOYSA-N
XLogP0.26
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide with MolForge

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Related Compounds

5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;6-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;(6S)-6-hydroxy-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide
CID 161489161
1-[4-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide
CID 123443810
1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 123789662
7-fluoro-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]quinazoline-4-carboxamide
CID 123676299
1-[4-[2-(4-hydroxy-1-methyl-2-oxopiperidin-4-yl)ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 123412262
1-[4-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
CID 123210701
1-(6-chloropyrimidin-4-yl)indazole-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]pyrimidin-4-yl]indazole-3-carboxamide
CID 157117599
1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
CID 175964559
6-fluoro-1-[3-[6-[formyl(methyl)amino]-3-hydroxy-3-methylhex-1-ynyl]phenyl]indazole-3-carboxamide
CID 123217711
5-[[butanoyl(methyl)amino]methyl]-1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
CID 144793035
azane;6-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 6-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
CID 158149834
1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxylate
CID 162218835

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide (CID 123729041) is 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide is NC(=O)c1nn(-c2cc(C#CC3(O)CCNC3=O)ccn2)c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The InChIKey is HRELDZAVOAFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-12-1-2-13-14(10-12)25(24-16(13)17(21)26)15-9-11(4-7-22-15)3-5-19(28)6-8-23-18(19)27/h1-2,4,7,9-10,28H,6,8H2,(H2,21,26)(H,23,27).
What are the key properties of 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide?
6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 379.35 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[4-[2-(3-hydroxy-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 123729041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).