N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C23H25N5O2S — CID 20952057

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)c2c1
InChIInChI=1S/C23H25N5O2S/c1-30-17-4-5-19-18(13-17)16(14-26-19)6-10-24-21(29)15-7-11-28(12-8-15)23-27-20-3-2-9-25-22(20)31-23/h2-5,9,13-15,26H,6-8,10-12H2,1H3,(H,24,29)
InChIKeySHZCOSPMGDAIJP-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952057) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952057
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)c2c1
InChIInChI=1S/C23H25N5O2S/c1-30-17-4-5-19-18(13-17)16(14-26-19)6-10-24-21(29)15-7-11-28(12-8-15)23-27-20-3-2-9-25-22(20)31-23/h2-5,9,13-15,26H,6-8,10-12H2,1H3,(H,24,29)
InChIKeySHZCOSPMGDAIJP-UHFFFAOYSA-N
XLogP3.76
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117345
N-[2-(3,4-diethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952055
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952029
N-(3-phenylpropyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952026
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53009996
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611479
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 50781229
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952090
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952073
N-(2-morpholin-4-ylethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952050
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611566

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952057) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is SHZCOSPMGDAIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-30-17-4-5-19-18(13-17)16(14-26-19)6-10-24-21(29)15-7-11-28(12-8-15)23-27-20-3-2-9-25-22(20)31-23/h2-5,9,13-15,26H,6-8,10-12H2,1H3,(H,24,29).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).