2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol

C22H20F2N6O2 — CID 146639694

IUPAC2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol
SMILESNc1nc2c(F)cc(F)cc2cc1OCc1cc2c(cnn2CCO)cc1N1C=CCN1
InChIInChI=1S/C22H20F2N6O2/c23-16-6-13-9-20(22(25)28-21(13)17(24)10-16)32-12-15-8-18-14(11-27-30(18)4-5-31)7-19(15)29-3-1-2-26-29/h1,3,6-11,26,31H,2,4-5,12H2,(H2,25,28)
InChIKeyJVJHLAMTCFPDCJ-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.85
Rot. Bonds6

About 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol

2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol (PubChem CID 146639694) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol
PubChem CID146639694
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol
SMILESNc1nc2c(F)cc(F)cc2cc1OCc1cc2c(cnn2CCO)cc1N1C=CCN1
InChIInChI=1S/C22H20F2N6O2/c23-16-6-13-9-20(22(25)28-21(13)17(24)10-16)32-12-15-8-18-14(11-27-30(18)4-5-31)7-19(15)29-3-1-2-26-29/h1,3,6-11,26,31H,2,4-5,12H2,(H2,25,28)
InChIKeyJVJHLAMTCFPDCJ-UHFFFAOYSA-N
XLogP2.85
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol?
The IUPAC name of 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol (CID 146639694) is 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol?
The canonical SMILES for 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol is Nc1nc2c(F)cc(F)cc2cc1OCc1cc2c(cnn2CCO)cc1N1C=CCN1.
What is the InChIKey of 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol?
The InChIKey is JVJHLAMTCFPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c23-16-6-13-9-20(22(25)28-21(13)17(24)10-16)32-12-15-8-18-14(11-27-30(18)4-5-31)7-19(15)29-3-1-2-26-29/h1,3,6-11,26,31H,2,4-5,12H2,(H2,25,28).
What are the key properties of 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol?
2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol has a molecular weight of 438.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol is sourced from PubChem (CID 146639694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).