1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide

C12H14FN3O3 — CID 166048101

IUPAC1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide
SMILESNC(=O)c1nn(CC[C@H](O)CO)c2c(F)cccc12
InChIInChI=1S/C12H14FN3O3/c13-9-3-1-2-8-10(12(14)19)15-16(11(8)9)5-4-7(18)6-17/h1-3,7,17-18H,4-6H2,(H2,14,19)/t7-/m0/s1
InChIKeyDFZWGCROTORAID-ZETCQYMHSA-N
MW267.26 g/mol
LogP0.02
Rot. Bonds5

About 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide

1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide (PubChem CID 166048101) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide
PubChem CID166048101
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide
SMILESNC(=O)c1nn(CC[C@H](O)CO)c2c(F)cccc12
InChIInChI=1S/C12H14FN3O3/c13-9-3-1-2-8-10(12(14)19)15-16(11(8)9)5-4-7(18)6-17/h1-3,7,17-18H,4-6H2,(H2,14,19)/t7-/m0/s1
InChIKeyDFZWGCROTORAID-ZETCQYMHSA-N
XLogP0.02
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide?
The IUPAC name of 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide (CID 166048101) is 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide is NC(=O)c1nn(CC[C@H](O)CO)c2c(F)cccc12.
What is the InChIKey of 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide?
The InChIKey is DFZWGCROTORAID-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-9-3-1-2-8-10(12(14)19)15-16(11(8)9)5-4-7(18)6-17/h1-3,7,17-18H,4-6H2,(H2,14,19)/t7-/m0/s1.
What are the key properties of 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide?
1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide is sourced from PubChem (CID 166048101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).