6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H29N7O2S — CID 167598849

About 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167598849) has the molecular formula C28H29N7O2S and a molecular weight of 527.65 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167598849
• Molecular Formula: C28H29N7O2S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.21
• IUPAC Name: 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCc1ccc(N=S2(=O)CCN(c3ccc(-c4cc(OCC5CC5)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C28H29N7O2S/c1-2-23-6-7-24(17-30-23)33-38(36)11-9-34(10-12-38)27-8-5-21(15-31-27)26-13-25(37-19-20-3-4-20)18-35-28(26)22(14-29)16-32-35/h5-8,13,15-18,20H,2-4,9-12,19H2,1H3
• InChIKey: BJZGWRYMFVDJNM-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 108.77 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167598849) is 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCc1ccc(N=S2(=O)CCN(c3ccc(-c4cc(OCC5CC5)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BJZGWRYMFVDJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2S/c1-2-23-6-7-24(17-30-23)33-38(36)11-9-34(10-12-38)27-8-5-21(15-31-27)26-13-25(37-19-20-3-4-20)18-35-28(26)22(14-29)16-32-35/h5-8,13,15-18,20H,2-4,9-12,19H2,1H3.

What are the key properties of 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 527.65 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167598849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).