1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C27H31ClN4O2S — CID 11249230

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCc1ccc(C)c2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C27H31ClN4O2S/c1-16(2)31-11-9-19(10-12-31)29-27(33)22-14-21-17(3)5-6-18(4)26(21)32(22)15-20-13-23(34-30-20)24-7-8-25(28)35-24/h5-8,13-14,16,19H,9-12,15H2,1-4H3,(H,29,33)
InChIKeyUUWXQABINFEYRX-UHFFFAOYSA-N
MW511.09 g/mol
LogP6.28
Rot. Bonds6

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 11249230) has the molecular formula C27H31ClN4O2S and a molecular weight of 511.09 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID11249230
Molecular FormulaC27H31ClN4O2S
Molecular Weight511.09 g/mol
Exact Mass510.19
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCc1ccc(C)c2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C27H31ClN4O2S/c1-16(2)31-11-9-19(10-12-31)29-27(33)22-14-21-17(3)5-6-18(4)26(21)32(22)15-20-13-23(34-30-20)24-7-8-25(28)35-24/h5-8,13-14,16,19H,9-12,15H2,1-4H3,(H,29,33)
InChIKeyUUWXQABINFEYRX-UHFFFAOYSA-N
XLogP6.28
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.09
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide with MolForge

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Related Compounds

1-{[5-(5-Chloro-2-thienyl)isoxazol-3-YL]methyl}-3-cyano-N-(1-isopropylpiperidin-4-YL)-7-methyl-1H-indole-2-carboxamide
CID 6540266
1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-3-cyano-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 10128374
1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-nitro-1H-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
CID 10239497
1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-7-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 10289091
7-chloro-1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 11364346
1-{[5-(5-Chloro-2-thienyl)isoxazol-3-YL]methyl}-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540265
1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-3-fluoro-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 10174464
3-bromo-1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 10218446
3-chloro-1-{[5-(5-chlorothien-2-yl)isoxazol-3-yl]methyl}-N-(1-isopropylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 10239377
1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(pyridin-4-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 10391881
1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-(1-ethylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 10412365
6-chloro-1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 11179888

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 11249230) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is Cc1ccc(C)c2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is UUWXQABINFEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O2S/c1-16(2)31-11-9-19(10-12-31)29-27(33)22-14-21-17(3)5-6-18(4)26(21)32(22)15-20-13-23(34-30-20)24-7-8-25(28)35-24/h5-8,13-14,16,19H,9-12,15H2,1-4H3,(H,29,33).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 511.09 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 11249230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).