3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine

C24H28N4 — CID 142593745

IUPAC3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2nccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)c12
InChIInChI=1S/C24H28N4/c1-14(2)21-19-12-17(16-6-9-25-10-7-16)4-5-20(19)28-23(21)18-8-11-26-24-22(18)15(3)13-27-24/h4-5,8,11-14,16,25,28H,6-7,9-10H2,1-3H3,(H,26,27)
InChIKeyIXJZDJSBDLXZSS-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.61
Rot. Bonds3

About 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine

3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142593745) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID142593745
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2nccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)c12
InChIInChI=1S/C24H28N4/c1-14(2)21-19-12-17(16-6-9-25-10-7-16)4-5-20(19)28-23(21)18-8-11-26-24-22(18)15(3)13-27-24/h4-5,8,11-14,16,25,28H,6-7,9-10H2,1-3H3,(H,26,27)
InChIKeyIXJZDJSBDLXZSS-UHFFFAOYSA-N
XLogP5.61
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 142594614
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594142
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-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151530371
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
CID 137464299
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142593738

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 142593745) is 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2nccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)c12.
What is the InChIKey of 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IXJZDJSBDLXZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-14(2)21-19-12-17(16-6-9-25-10-7-16)4-5-20(19)28-23(21)18-8-11-26-24-22(18)15(3)13-27-24/h4-5,8,11-14,16,25,28H,6-7,9-10H2,1-3H3,(H,26,27).
What are the key properties of 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 372.52 g/mol, XLogP of 5.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142593745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).