5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide

C30H39N5O2 — CID 170169794

IUPAC5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide
SMILESCC1=C(C(N)=O)N(C2CCN(C(C)C)CC2)C(c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)O1
InChIInChI=1S/C30H39N5O2/c1-17(2)26-24-16-22(7-8-25(24)33-27(26)21-9-12-32-19(5)15-21)30-35(28(29(31)36)20(6)37-30)23-10-13-34(14-11-23)18(3)4/h7-9,12,15-18,23,30,33H,10-11,13-14H2,1-6H3,(H2,31,36)
InChIKeyULGWALMBVHWPQM-UHFFFAOYSA-N
MW501.68 g/mol
LogP5.58
Rot. Bonds6

About 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide

5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 170169794) has the molecular formula C30H39N5O2 and a molecular weight of 501.68 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide
PubChem CID170169794
Molecular FormulaC30H39N5O2
Molecular Weight501.68 g/mol
Exact Mass501.31
IUPAC Name5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide
SMILESCC1=C(C(N)=O)N(C2CCN(C(C)C)CC2)C(c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)O1
InChIInChI=1S/C30H39N5O2/c1-17(2)26-24-16-22(7-8-25(24)33-27(26)21-9-12-32-19(5)15-21)30-35(28(29(31)36)20(6)37-30)23-10-13-34(14-11-23)18(3)4/h7-9,12,15-18,23,30,33H,10-11,13-14H2,1-6H3,(H2,31,36)
InChIKeyULGWALMBVHWPQM-UHFFFAOYSA-N
XLogP5.58
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.68
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,2R)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]cyclopropyl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 157373153
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide
CID 170167932
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329430
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
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
CID 155210865
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
CID 175343898
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-1-[(1R,2S)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]cyclopropyl]ethanone
CID 158694166

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide (CID 170169794) is 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide is CC1=C(C(N)=O)N(C2CCN(C(C)C)CC2)C(c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)O1.
What is the InChIKey of 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is ULGWALMBVHWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2/c1-17(2)26-24-16-22(7-8-25(24)33-27(26)21-9-12-32-19(5)15-21)30-35(28(29(31)36)20(6)37-30)23-10-13-34(14-11-23)18(3)4/h7-9,12,15-18,23,30,33H,10-11,13-14H2,1-6H3,(H2,31,36).
What are the key properties of 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide?
5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 501.68 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170169794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).