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

C27H24ClN5O2S — CID 10391881

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C27H24ClN5O2S/c28-26-6-5-25(36-26)24-16-20(31-35-24)17-33-22-4-2-1-3-18(22)15-23(33)27(34)30-19-9-13-32(14-10-19)21-7-11-29-12-8-21/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,30,34)
InChIKeyVGXIAQUUVIGDPS-UHFFFAOYSA-N
MW518.04 g/mol
LogP5.85
Rot. Bonds6

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 10391881) has the molecular formula C27H24ClN5O2S and a molecular weight of 518.04 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID10391881
Molecular FormulaC27H24ClN5O2S
Molecular Weight518.04 g/mol
Exact Mass517.13
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C27H24ClN5O2S/c28-26-6-5-25(36-26)24-16-20(31-35-24)17-33-22-4-2-1-3-18(22)15-23(33)27(34)30-19-9-13-32(14-10-19)21-7-11-29-12-8-21/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,30,34)
InChIKeyVGXIAQUUVIGDPS-UHFFFAOYSA-N
XLogP5.85
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.04
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide (CID 10391881) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide is O=C(NC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is VGXIAQUUVIGDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2S/c28-26-6-5-25(36-26)24-16-20(31-35-24)17-33-22-4-2-1-3-18(22)15-23(33)27(34)30-19-9-13-32(14-10-19)21-7-11-29-12-8-21/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,30,34).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 518.04 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 10391881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).