2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide

C19H19FN4O — CID 154588329

IUPAC2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide
SMILES[2H][C@]1(c2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)CCCNC1
InChIInChI=1S/C19H19FN4O/c20-15-8-14-11-24(23-18(14)17(9-15)19(21)25)16-5-3-12(4-6-16)13-2-1-7-22-10-13/h3-6,8-9,11,13,22H,1-2,7,10H2,(H2,21,25)/t13-/m0/s1/i13D
InChIKeySXEMEOZJVFGBKZ-QWOGOBCGSA-N
MW339.39 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide

2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide (PubChem CID 154588329) has the molecular formula C19H19FN4O and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide
PubChem CID154588329
Molecular FormulaC19H19FN4O
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide
SMILES[2H][C@]1(c2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)CCCNC1
InChIInChI=1S/C19H19FN4O/c20-15-8-14-11-24(23-18(14)17(9-15)19(21)25)16-5-3-12(4-6-16)13-2-1-7-22-10-13/h3-6,8-9,11,13,22H,1-2,7,10H2,(H2,21,25)/t13-/m0/s1/i13D
InChIKeySXEMEOZJVFGBKZ-QWOGOBCGSA-N
XLogP2.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556789
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588348
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588459
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588359
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;trifluoromethyl acetate
CID 159354523
2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide
CID 154588363
5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide
CID 16750545
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide?
The IUPAC name of 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide (CID 154588329) is 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide?
The canonical SMILES for 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide is [2H][C@]1(c2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)CCCNC1.
What is the InChIKey of 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide?
The InChIKey is SXEMEOZJVFGBKZ-QWOGOBCGSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-8-14-11-24(23-18(14)17(9-15)19(21)25)16-5-3-12(4-6-16)13-2-1-7-22-10-13/h3-6,8-9,11,13,22H,1-2,7,10H2,(H2,21,25)/t13-/m0/s1/i13D.
What are the key properties of 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide?
2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide is sourced from PubChem (CID 154588329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).