5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole

C18H19FN4O — CID 68530064

IUPAC5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole
SMILESFc1ccc2c(c1)c(OCC1CCCNC1)nn2-c1ccccn1
InChIInChI=1S/C18H19FN4O/c19-14-6-7-16-15(10-14)18(24-12-13-4-3-8-20-11-13)22-23(16)17-5-1-2-9-21-17/h1-2,5-7,9-10,13,20H,3-4,8,11-12H2
InChIKeyWWMSFYZYVYJGCD-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.94
Rot. Bonds4

About 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole

5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole (PubChem CID 68530064) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole.

Molecular Properties

Compound Name5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole
PubChem CID68530064
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole
SMILESFc1ccc2c(c1)c(OCC1CCCNC1)nn2-c1ccccn1
InChIInChI=1S/C18H19FN4O/c19-14-6-7-16-15(10-14)18(24-12-13-4-3-8-20-11-13)22-23(16)17-5-1-2-9-21-17/h1-2,5-7,9-10,13,20H,3-4,8,11-12H2
InChIKeyWWMSFYZYVYJGCD-UHFFFAOYSA-N
XLogP2.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolopyridazine 1
CID 6539361
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Pyrazolo[1,5-b]pyridazine deriv. 40
CID 6539382
Pyrazolo[1,5-b]pyridazine deriv. 41
CID 6539383
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
[1-[3-Fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
CID 71766886
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
1-(3-methoxyphenyl)-3-propan-2-yl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604968
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10163981
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
CID 10164428

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole?
The IUPAC name of 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole (CID 68530064) is 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole.
What is the SMILES notation for 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole?
The canonical SMILES for 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole is Fc1ccc2c(c1)c(OCC1CCCNC1)nn2-c1ccccn1.
What is the InChIKey of 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole?
The InChIKey is WWMSFYZYVYJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-14-6-7-16-15(10-14)18(24-12-13-4-3-8-20-11-13)22-23(16)17-5-1-2-9-21-17/h1-2,5-7,9-10,13,20H,3-4,8,11-12H2.
What are the key properties of 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole?
5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole has a molecular weight of 326.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(piperidin-3-ylmethoxy)-1-pyridin-2-ylindazole is sourced from PubChem (CID 68530064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).