(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone

C16H16FN5O2 — CID 166321794

IUPAC(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone
SMILESNc1nn(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c2ccc(F)cc12
InChIInChI=1S/C16H16FN5O2/c17-11-2-3-13-12(8-11)15(18)20-22(13)16(23)14-10(4-7-24-14)9-21-6-1-5-19-21/h1-3,5-6,8,10,14H,4,7,9H2,(H2,18,20)/t10-,14-/m1/s1
InChIKeyKRFBFGITZRAILD-QMTHXVAHSA-N
MW329.34 g/mol
LogP1.70
Rot. Bonds3

About (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone

(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone (PubChem CID 166321794) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone
PubChem CID166321794
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone
SMILESNc1nn(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c2ccc(F)cc12
InChIInChI=1S/C16H16FN5O2/c17-11-2-3-13-12(8-11)15(18)20-22(13)16(23)14-10(4-7-24-14)9-21-6-1-5-19-21/h1-3,5-6,8,10,14H,4,7,9H2,(H2,18,20)/t10-,14-/m1/s1
InChIKeyKRFBFGITZRAILD-QMTHXVAHSA-N
XLogP1.70
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone?
The IUPAC name of (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone (CID 166321794) is (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone.
What is the SMILES notation for (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone?
The canonical SMILES for (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone is Nc1nn(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)c2ccc(F)cc12.
What is the InChIKey of (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone?
The InChIKey is KRFBFGITZRAILD-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H16FN5O2/c17-11-2-3-13-12(8-11)15(18)20-22(13)16(23)14-10(4-7-24-14)9-21-6-1-5-19-21/h1-3,5-6,8,10,14H,4,7,9H2,(H2,18,20)/t10-,14-/m1/s1.
What are the key properties of (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone?
(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone has a molecular weight of 329.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone is sourced from PubChem (CID 166321794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).