(6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone

C17H14ClFN4O2 — CID 167294821

IUPAC(6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)c(F)nn2C1CCCCO1)c1ccc(Cl)nn1
InChIInChI=1S/C17H14ClFN4O2/c18-14-7-5-12(20-21-14)16(24)10-4-6-13-11(9-10)17(19)22-23(13)15-3-1-2-8-25-15/h4-7,9,15H,1-3,8H2
InChIKeyHOBCQEIDHLGTER-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.55
Rot. Bonds3

About (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone

(6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone (PubChem CID 167294821) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone
PubChem CID167294821
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name(6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)c(F)nn2C1CCCCO1)c1ccc(Cl)nn1
InChIInChI=1S/C17H14ClFN4O2/c18-14-7-5-12(20-21-14)16(24)10-4-6-13-11(9-10)17(19)22-23(13)15-3-1-2-8-25-15/h4-7,9,15H,1-3,8H2
InChIKeyHOBCQEIDHLGTER-UHFFFAOYSA-N
XLogP3.55
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(Z)-1,2-bis(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole
CID 154620217
3-ethynyl-1-[(2S)-oxan-2-yl]indazole-5-carboxylic acid
CID 124673269
5-bromo-3-fluoro-1-(oxan-2-yl)indazole;cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine;3-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 160781012
(E)-3-[4-[[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enoic acid
CID 175137106
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
2-[4-[4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethyl hydrogen carbonate
CID 134544039
2-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl carbamate
CID 134519334
3-[4-[2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethenyl]phenyl]prop-2-enenitrile
CID 123488589
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
tert-butyl N-[2-[4-[1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethyl]carbamate
CID 175353524
ethyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate
CID 165127694
3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
CID 176887222

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone (CID 167294821) is (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone is O=C(c1ccc2c(c1)c(F)nn2C1CCCCO1)c1ccc(Cl)nn1.
What is the InChIKey of (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone?
The InChIKey is HOBCQEIDHLGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c18-14-7-5-12(20-21-14)16(24)10-4-6-13-11(9-10)17(19)22-23(13)15-3-1-2-8-25-15/h4-7,9,15H,1-3,8H2.
What are the key properties of (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone?
(6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone has a molecular weight of 360.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]methanone is sourced from PubChem (CID 167294821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).