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

C25H26ClFN4O2S — CID 10174464

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2c(F)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C25H26ClFN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)
InChIKeyKPIQURKZNMPNNM-UHFFFAOYSA-N
MW501.03 g/mol
LogP5.80
Rot. Bonds6

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 10174464) has the molecular formula C25H26ClFN4O2S and a molecular weight of 501.03 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-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]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID10174464
Molecular FormulaC25H26ClFN4O2S
Molecular Weight501.03 g/mol
Exact Mass500.14
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2c(F)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C25H26ClFN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)
InChIKeyKPIQURKZNMPNNM-UHFFFAOYSA-N
XLogP5.80
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-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]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 10174464) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-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]-3-fluoro-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]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2c(F)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is KPIQURKZNMPNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 5.80, 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]-3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 10174464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).