[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone

C22H25N3O — CID 175343898

IUPAC[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
SMILESCc1cc(-c2[nH]c3ccc(C(=O)C4CCCN4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H25N3O/c1-13(2)20-17-12-16(22(26)19-5-4-9-24-19)6-7-18(17)25-21(20)15-8-10-23-14(3)11-15/h6-8,10-13,19,24-25H,4-5,9H2,1-3H3
InChIKeyGUOCHCZSWMVQKK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.60
Rot. Bonds4

About [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone

[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone (PubChem CID 175343898) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
PubChem CID175343898
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
SMILESCc1cc(-c2[nH]c3ccc(C(=O)C4CCCN4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H25N3O/c1-13(2)20-17-12-16(22(26)19-5-4-9-24-19)6-7-18(17)25-21(20)15-8-10-23-14(3)11-15/h6-8,10-13,19,24-25H,4-5,9H2,1-3H3
InChIKeyGUOCHCZSWMVQKK-UHFFFAOYSA-N
XLogP4.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-piperidin-3-ylpropanamide
CID 155210906
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
CID 155210865
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol
CID 167082674
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)propanamide
CID 155210880
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 154639954
4-methyl-4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[(3S)-pyrrolidin-3-yl]pentan-3-one
CID 158912677
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanal
CID 167082695
N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 154641135
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 151463876
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone (CID 175343898) is [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone is Cc1cc(-c2[nH]c3ccc(C(=O)C4CCCN4)cc3c2C(C)C)ccn1.
What is the InChIKey of [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is GUOCHCZSWMVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-13(2)20-17-12-16(22(26)19-5-4-9-24-19)6-7-18(17)25-21(20)15-8-10-23-14(3)11-15/h6-8,10-13,19,24-25H,4-5,9H2,1-3H3.
What are the key properties of [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone?
[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 175343898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).