3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide

C22H27N5OS — CID 71221166

IUPAC3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2csc(CN3CCCC3)n2)cc2c(C3CCNCC3)c[nH]c12
InChIInChI=1S/C22H27N5OS/c23-22(28)17-10-15(19-13-29-20(26-19)12-27-7-1-2-8-27)9-16-18(11-25-21(16)17)14-3-5-24-6-4-14/h9-11,13-14,24-25H,1-8,12H2,(H2,23,28)
InChIKeyRZHZQDLTCYNWNV-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.45
Rot. Bonds5

About 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide

3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide (PubChem CID 71221166) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide
PubChem CID71221166
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2csc(CN3CCCC3)n2)cc2c(C3CCNCC3)c[nH]c12
InChIInChI=1S/C22H27N5OS/c23-22(28)17-10-15(19-13-29-20(26-19)12-27-7-1-2-8-27)9-16-18(11-25-21(16)17)14-3-5-24-6-4-14/h9-11,13-14,24-25H,1-8,12H2,(H2,23,28)
InChIKeyRZHZQDLTCYNWNV-UHFFFAOYSA-N
XLogP3.45
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide?
The IUPAC name of 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide (CID 71221166) is 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide is NC(=O)c1cc(-c2csc(CN3CCCC3)n2)cc2c(C3CCNCC3)c[nH]c12.
What is the InChIKey of 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide?
The InChIKey is RZHZQDLTCYNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c23-22(28)17-10-15(19-13-29-20(26-19)12-27-7-1-2-8-27)9-16-18(11-25-21(16)17)14-3-5-24-6-4-14/h9-11,13-14,24-25H,1-8,12H2,(H2,23,28).
What are the key properties of 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide?
3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 71221166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).