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

C22H26FN3 — CID 134329624

IUPAC2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1nccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c1F
InChIInChI=1S/C22H26FN3/c1-13(2)20-18-12-16(15-6-9-24-10-7-15)4-5-19(18)26-22(20)17-8-11-25-14(3)21(17)23/h4-5,8,11-13,15,24,26H,6-7,9-10H2,1-3H3
InChIKeyYWFHWWRZGWFBBT-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.27
Rot. Bonds3

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

2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329624) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329624
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1nccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c1F
InChIInChI=1S/C22H26FN3/c1-13(2)20-18-12-16(15-6-9-24-10-7-15)4-5-19(18)26-22(20)17-8-11-25-14(3)21(17)23/h4-5,8,11-13,15,24,26H,6-7,9-10H2,1-3H3
InChIKeyYWFHWWRZGWFBBT-UHFFFAOYSA-N
XLogP5.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142593745
7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594142
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 142594614
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329571
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
3-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[4,5-b]pyridine
CID 142593803
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 142594151
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142594339
4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151530371
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329624) is 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1nccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c1F.
What is the InChIKey of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is YWFHWWRZGWFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-13(2)20-18-12-16(15-6-9-24-10-7-15)4-5-19(18)26-22(20)17-8-11-25-14(3)21(17)23/h4-5,8,11-13,15,24,26H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 351.47 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).