2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

C26H30FN5 — CID 134330069

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ccn[nH]5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H30FN5/c1-16(2)25-22-13-19(18-7-10-32(11-8-18)15-20-6-9-29-31-20)4-5-24(22)30-26(25)21-12-17(3)28-14-23(21)27/h4-6,9,12-14,16,18,30H,7-8,10-11,15H2,1-3H3,(H,29,31)
InChIKeyIPMQCXLOUKOIIW-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.90
Rot. Bonds5

About 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 134330069) has the molecular formula C26H30FN5 and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
PubChem CID134330069
Molecular FormulaC26H30FN5
Molecular Weight431.56 g/mol
Exact Mass431.25
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ccn[nH]5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H30FN5/c1-16(2)25-22-13-19(18-7-10-32(11-8-18)15-20-6-9-29-31-20)4-5-24(22)30-26(25)21-12-17(3)28-14-23(21)27/h4-6,9,12-14,16,18,30H,7-8,10-11,15H2,1-3H3,(H,29,31)
InChIKeyIPMQCXLOUKOIIW-UHFFFAOYSA-N
XLogP5.90
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (CID 134330069) is 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ccn[nH]5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The InChIKey is IPMQCXLOUKOIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5/c1-16(2)25-22-13-19(18-7-10-32(11-8-18)15-20-6-9-29-31-20)4-5-24(22)30-26(25)21-12-17(3)28-14-23(21)27/h4-6,9,12-14,16,18,30H,7-8,10-11,15H2,1-3H3,(H,29,31).
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 431.56 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 134330069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).