3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole

C22H27FN4 — CID 67758842

IUPAC3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCN(CCc4cnn(CC5CC5)c4)CC3)c2c1
InChIInChI=1S/C22H27FN4/c23-19-3-4-22-20(11-19)21(13-24-22)18-6-9-26(10-7-18)8-5-17-12-25-27(15-17)14-16-1-2-16/h3-4,11-13,15-16,18,24H,1-2,5-10,14H2
InChIKeyCNVDLFKTJFXKSD-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.34
Rot. Bonds6

About 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole

3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole (PubChem CID 67758842) has the molecular formula C22H27FN4 and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
PubChem CID67758842
Molecular FormulaC22H27FN4
Molecular Weight366.48 g/mol
Exact Mass366.22
IUPAC Name3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCN(CCc4cnn(CC5CC5)c4)CC3)c2c1
InChIInChI=1S/C22H27FN4/c23-19-3-4-22-20(11-19)21(13-24-22)18-6-9-26(10-7-18)8-5-17-12-25-27(15-17)14-16-1-2-16/h3-4,11-13,15-16,18,24H,1-2,5-10,14H2
InChIKeyCNVDLFKTJFXKSD-UHFFFAOYSA-N
XLogP4.34
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 15837561
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 67754333
5-bromo-3-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 67758752
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
6-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 25012822
5-butoxy-3-[1-[2-[1-[4-(2-methylpropyl)phenyl]pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 70100965
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole?
The IUPAC name of 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole (CID 67758842) is 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C3CCN(CCc4cnn(CC5CC5)c4)CC3)c2c1.
What is the InChIKey of 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole?
The InChIKey is CNVDLFKTJFXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4/c23-19-3-4-22-20(11-19)21(13-24-22)18-6-9-26(10-7-18)8-5-17-12-25-27(15-17)14-16-1-2-16/h3-4,11-13,15-16,18,24H,1-2,5-10,14H2.
What are the key properties of 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole?
3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole has a molecular weight of 366.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole is sourced from PubChem (CID 67758842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).