2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide

C19H18F2N4O — CID 154588363

IUPAC2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide
SMILES[2H]C1(c2ccc(-n3nc4c(C(N)=O)cccc4c3F)c(F)c2)CCCNC1
InChIInChI=1S/C19H18F2N4O/c20-15-9-11(12-3-2-8-23-10-12)6-7-16(15)25-18(21)13-4-1-5-14(19(22)26)17(13)24-25/h1,4-7,9,12,23H,2-3,8,10H2,(H2,22,26)/i12D
InChIKeyUGMODZWPKKTUDC-UQBWLURTSA-N
MW357.38 g/mol
LogP2.87
Rot. Bonds3

About 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide

2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide (PubChem CID 154588363) has the molecular formula C19H18F2N4O and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide
PubChem CID154588363
Molecular FormulaC19H18F2N4O
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide
SMILES[2H]C1(c2ccc(-n3nc4c(C(N)=O)cccc4c3F)c(F)c2)CCCNC1
InChIInChI=1S/C19H18F2N4O/c20-15-9-11(12-3-2-8-23-10-12)6-7-16(15)25-18(21)13-4-1-5-14(19(22)26)17(13)24-25/h1,4-7,9,12,23H,2-3,8,10H2,(H2,22,26)/i12D
InChIKeyUGMODZWPKKTUDC-UQBWLURTSA-N
XLogP2.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556774
2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide
CID 154588329
3-fluoro-2-[4-[(3R,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557150
3-methyl-2-(4-methylpiperidin-3-yl)indazole-7-carboxamide
CID 56645469
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588359
2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171925444
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide
CID 18428242
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
3-bromo-2-piperidin-4-ylindazole-7-carboxamide
CID 56645262
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide?
The IUPAC name of 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide (CID 154588363) is 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide.
What is the SMILES notation for 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide?
The canonical SMILES for 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide is [2H]C1(c2ccc(-n3nc4c(C(N)=O)cccc4c3F)c(F)c2)CCCNC1.
What is the InChIKey of 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide?
The InChIKey is UGMODZWPKKTUDC-UQBWLURTSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-15-9-11(12-3-2-8-23-10-12)6-7-16(15)25-18(21)13-4-1-5-14(19(22)26)17(13)24-25/h1,4-7,9,12,23H,2-3,8,10H2,(H2,22,26)/i12D.
What are the key properties of 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide?
2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-deuteriopiperidin-3-yl)-2-fluorophenyl]-3-fluoroindazole-7-carboxamide is sourced from PubChem (CID 154588363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).