N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide

C12H14FN3O3 — CID 175835579

IUPACN-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESO=C(NCC[C@H](O)CO)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C12H14FN3O3/c13-9-3-1-2-8-10(9)15-16-11(8)12(19)14-5-4-7(18)6-17/h1-3,7,17-18H,4-6H2,(H,14,19)(H,15,16)/t7-/m0/s1
InChIKeyDRODGWMUHQWYLL-ZETCQYMHSA-N
MW267.26 g/mol
LogP0.18
Rot. Bonds5

About N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide

N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 175835579) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide
PubChem CID175835579
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESO=C(NCC[C@H](O)CO)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C12H14FN3O3/c13-9-3-1-2-8-10(9)15-16-11(8)12(19)14-5-4-7(18)6-17/h1-3,7,17-18H,4-6H2,(H,14,19)(H,15,16)/t7-/m0/s1
InChIKeyDRODGWMUHQWYLL-ZETCQYMHSA-N
XLogP0.18
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide
CID 110469478
7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide
CID 110469442
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 110469439
N-[(2S)-2,3-dihydroxypropyl]-7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2H-indazole-3-carboxamide
CID 167551793
1-[(3R)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide
CID 166048153
1-[(3S)-3,4-dihydroxybutyl]-7-fluoroindazole-3-carboxamide
CID 166048101
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
CID 66177691
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide?
The IUPAC name of N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide (CID 175835579) is N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide is O=C(NCC[C@H](O)CO)c1[nH]nc2c(F)cccc12.
What is the InChIKey of N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide?
The InChIKey is DRODGWMUHQWYLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-9-3-1-2-8-10(9)15-16-11(8)12(19)14-5-4-7(18)6-17/h1-3,7,17-18H,4-6H2,(H,14,19)(H,15,16)/t7-/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide?
N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 175835579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).