1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane

C31H43N7O3S — CID 162083005

About 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane

1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane (PubChem CID 162083005) has the molecular formula C31H43N7O3S and a molecular weight of 593.80 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane
• PubChem CID: 162083005
• Molecular Formula: C31H43N7O3S
• Molecular Weight: 593.80 g/mol
• Exact Mass: 593.31
• IUPAC Name: 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane
• SMILES: CC(C)[C@H](C)NC(=O)C1(C)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.S
• InChI: InChI=1S/C31H41N7O3.H2S/c1-22(2)23(3)35-30(39)31(4)7-9-37(10-8-31)28-6-5-24(19-33-28)27-17-26(21-38-29(27)25(18-32)20-34-38)41-16-13-36-11-14-40-15-12-36;/h5-6,17,19-23H,7-16H2,1-4H3,(H,35,39);1H2/t23-;/m0./s1
• InChIKey: ZCOWBCRPOFNPKN-BQAIUKQQSA-N
• XLogP: 3.86
• TPSA: 108.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.80
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane?

The IUPAC name of 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane (CID 162083005) is 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane.

What is the SMILES notation for 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane?

The canonical SMILES for 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane is CC(C)[C@H](C)NC(=O)C1(C)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.S.

What is the InChIKey of 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane?

The InChIKey is ZCOWBCRPOFNPKN-BQAIUKQQSA-N. The full InChI is InChI=1S/C31H41N7O3.H2S/c1-22(2)23(3)35-30(39)31(4)7-9-37(10-8-31)28-6-5-24(19-33-28)27-17-26(21-38-29(27)25(18-32)20-34-38)41-16-13-36-11-14-40-15-12-36;/h5-6,17,19-23H,7-16H2,1-4H3,(H,35,39);1H2/t23-;/m0./s1.

What are the key properties of 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane?

1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane has a molecular weight of 593.80 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane is sourced from PubChem (CID 162083005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).