N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide

C22H23F2N5O2S — CID 150010082

About N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide

N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 150010082) has the molecular formula C22H23F2N5O2S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
• PubChem CID: 150010082
• Molecular Formula: C22H23F2N5O2S
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.15
• IUPAC Name: N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
• SMILES: CN1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)c2cc4c(F)cc(F)cc4[nH]2)CC3)CC1
• InChI: InChI=1S/C22H23F2N5O2S/c1-28-5-2-12(3-6-28)20(30)27-22-26-16-4-7-29(11-19(16)32-22)21(31)18-10-14-15(24)8-13(23)9-17(14)25-18/h8-10,12,25H,2-7,11H2,1H3,(H,26,27,30)
• InChIKey: DDBYRXGGCQEAPZ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide (CID 150010082) is N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)c2cc4c(F)cc(F)cc4[nH]2)CC3)CC1.

What is the InChIKey of N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide?

The InChIKey is DDBYRXGGCQEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2S/c1-28-5-2-12(3-6-28)20(30)27-22-26-16-4-7-29(11-19(16)32-22)21(31)18-10-14-15(24)8-13(23)9-17(14)25-18/h8-10,12,25H,2-7,11H2,1H3,(H,26,27,30).

What are the key properties of N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide?

N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 150010082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).