5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole

C19H16FN3 — CID 175885811

IUPAC5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1=CC=NCC1
InChIInChI=1S/C19H16FN3/c1-13-10-19-15(11-18(13)14-6-8-21-9-7-14)12-22-23(19)17-4-2-16(20)3-5-17/h2-6,8,10-12H,7,9H2,1H3
InChIKeyNIBGTAKNBLEAGW-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.33
Rot. Bonds2

About 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole

5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole (PubChem CID 175885811) has the molecular formula C19H16FN3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole.

Molecular Properties

Compound Name5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole
PubChem CID175885811
Molecular FormulaC19H16FN3
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1=CC=NCC1
InChIInChI=1S/C19H16FN3/c1-13-10-19-15(11-18(13)14-6-8-21-9-7-14)12-22-23(19)17-4-2-16(20)3-5-17/h2-6,8,10-12H,7,9H2,1H3
InChIKeyNIBGTAKNBLEAGW-UHFFFAOYSA-N
XLogP4.33
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one
CID 86722325
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole
CID 168961672
1-(4-fluorophenyl)-5-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 174236980
N-chloro-1-(4-fluorophenyl)indazol-5-amine
CID 164606394
1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
CID 168813334
(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine
CID 59339631
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
CID 166917364
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole?
The IUPAC name of 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole (CID 175885811) is 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole.
What is the SMILES notation for 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole?
The canonical SMILES for 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1=CC=NCC1.
What is the InChIKey of 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole?
The InChIKey is NIBGTAKNBLEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3/c1-13-10-19-15(11-18(13)14-6-8-21-9-7-14)12-22-23(19)17-4-2-16(20)3-5-17/h2-6,8,10-12H,7,9H2,1H3.
What are the key properties of 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole?
5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole has a molecular weight of 305.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole is sourced from PubChem (CID 175885811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).