3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole

C22H23FN4 — CID 174996746

IUPAC3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole
SMILESCC(C)(C)c1cc(-c2cncc(F)c2)n(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H23FN4/c1-22(2,3)21-11-20(16-10-17(23)14-24-12-16)27(26-21)9-8-15-13-25-19-7-5-4-6-18(15)19/h4-7,10-14,25H,8-9H2,1-3H3
InChIKeyLNRLONWAHROHDI-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.11
Rot. Bonds4

About 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole

3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole (PubChem CID 174996746) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole
PubChem CID174996746
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole
SMILESCC(C)(C)c1cc(-c2cncc(F)c2)n(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H23FN4/c1-22(2,3)21-11-20(16-10-17(23)14-24-12-16)27(26-21)9-8-15-13-25-19-7-5-4-6-18(15)19/h4-7,10-14,25H,8-9H2,1-3H3
InChIKeyLNRLONWAHROHDI-UHFFFAOYSA-N
XLogP5.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-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-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
CID 175489562
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409716
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135376297
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 135376641
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 135376472
2-(5-fluoro-3-pyridinyl)-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 140944571
(7R)-2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573074
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-8,8-dimethyl-7H-purino[8,9-b][1,3]thiazol-4-amine
CID 162474601
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
CID 155211510
5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 140944726
tert-butyl 4-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 135376549

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole (CID 174996746) is 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole is CC(C)(C)c1cc(-c2cncc(F)c2)n(CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole?
The InChIKey is LNRLONWAHROHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c1-22(2,3)21-11-20(16-10-17(23)14-24-12-16)27(26-21)9-8-15-13-25-19-7-5-4-6-18(15)19/h4-7,10-14,25H,8-9H2,1-3H3.
What are the key properties of 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole?
3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole has a molecular weight of 362.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 174996746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).