6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole

C18H21FN4 — CID 118060606

IUPAC6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
SMILESCc1c(-c2c[nH]c3cc(F)ccc23)cnn1CC1CCNCC1
InChIInChI=1S/C18H21FN4/c1-12-16(10-22-23(12)11-13-4-6-20-7-5-13)17-9-21-18-8-14(19)2-3-15(17)18/h2-3,8-10,13,20-21H,4-7,11H2,1H3
InChIKeyHDCRQGBGYFIQHB-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.48
Rot. Bonds3

About 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole

6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole (PubChem CID 118060606) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
PubChem CID118060606
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
SMILESCc1c(-c2c[nH]c3cc(F)ccc23)cnn1CC1CCNCC1
InChIInChI=1S/C18H21FN4/c1-12-16(10-22-23(12)11-13-4-6-20-7-5-13)17-9-21-18-8-14(19)2-3-15(17)18/h2-3,8-10,13,20-21H,4-7,11H2,1H3
InChIKeyHDCRQGBGYFIQHB-UHFFFAOYSA-N
XLogP3.48
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
CID 118382679
3-[3,5-dimethyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-6-fluoro-1H-indole;6-fluoro-3-[1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazol-4-yl]-1H-indole
CID 161239350
6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060550
6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
CID 118292975
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole
CID 167864021
4-methyl-1-(piperidin-4-ylmethyl)indazole
CID 84692855
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
6-fluoro-3-[5-methyl-2-(thian-4-yl)-1,2,4-triazol-3-yl]-1H-indole
CID 167975107
1-[4-[4-(6-fluoro-1H-indol-3-yl)-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 118060130
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole (CID 118060606) is 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole is Cc1c(-c2c[nH]c3cc(F)ccc23)cnn1CC1CCNCC1.
What is the InChIKey of 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole?
The InChIKey is HDCRQGBGYFIQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c1-12-16(10-22-23(12)11-13-4-6-20-7-5-13)17-9-21-18-8-14(19)2-3-15(17)18/h2-3,8-10,13,20-21H,4-7,11H2,1H3.
What are the key properties of 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole?
6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole has a molecular weight of 312.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 118060606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).