N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

C21H21N7OS — CID 59332076

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 59332076) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 59332076
• Molecular Formula: C21H21N7OS
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.15
• IUPAC Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
• SMILES: N[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-n3ncc4ccccc43)n2)C1
• InChI: InChI=1S/C21H21N7OS/c22-15-5-3-9-27(12-15)19-7-8-23-11-16(19)25-20(29)17-13-30-21(26-17)28-18-6-2-1-4-14(18)10-24-28/h1-2,4,6-8,10-11,13,15H,3,5,9,12,22H2,(H,25,29)/t15-/m0/s1
• InChIKey: WPOVRYJBMTVCPL-HNNXBMFYSA-N
• XLogP: 3.06
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (CID 59332076) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is N[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-n3ncc4ccccc43)n2)C1.

What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?

The InChIKey is WPOVRYJBMTVCPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N7OS/c22-15-5-3-9-27(12-15)19-7-8-23-11-16(19)25-20(29)17-13-30-21(26-17)28-18-6-2-1-4-14(18)10-24-28/h1-2,4,6-8,10-11,13,15H,3,5,9,12,22H2,(H,25,29)/t15-/m0/s1.

What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).