2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide

C23H25N7OS — CID 91422349

About 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide

2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide (PubChem CID 91422349) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide
• PubChem CID: 91422349
• Molecular Formula: C23H25N7OS
• Molecular Weight: 447.57 g/mol
• Exact Mass: 447.18
• IUPAC Name: 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide
• SMILES: CC(C(N)=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CC1
• InChI: InChI=1S/C23H25N7OS/c1-14(22(25)31)29-8-6-17(7-9-29)30-13-16(12-27-30)15-10-18(21(24)26-11-15)23-28-19-4-2-3-5-20(19)32-23/h2-5,10-14,17H,6-9H2,1H3,(H2,24,26)(H2,25,31)
• InChIKey: DOESEHZWBIOHPN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 115.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.57
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide?

The IUPAC name of 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide (CID 91422349) is 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide.

What is the SMILES notation for 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide?

The canonical SMILES for 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CC1.

What is the InChIKey of 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide?

The InChIKey is DOESEHZWBIOHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-14(22(25)31)29-8-6-17(7-9-29)30-13-16(12-27-30)15-10-18(21(24)26-11-15)23-28-19-4-2-3-5-20(19)32-23/h2-5,10-14,17H,6-9H2,1H3,(H2,24,26)(H2,25,31).

What are the key properties of 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide?

2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide has a molecular weight of 447.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 91422349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).