[4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate

C20H27N5O4S — CID 170623400

About [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate

[4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate (PubChem CID 170623400) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate
• PubChem CID: 170623400
• Molecular Formula: C20H27N5O4S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.18
• IUPAC Name: [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)OC1CCC(c2cc(Nc3cncc4c3CCS4(=O)=O)n[nH]2)CC1
• InChI: InChI=1S/C20H27N5O4S/c1-12(2)22-20(26)29-14-5-3-13(4-6-14)16-9-19(25-24-16)23-17-10-21-11-18-15(17)7-8-30(18,27)28/h9-14H,3-8H2,1-2H3,(H,22,26)(H2,23,24,25)
• InChIKey: PAQKIPYIOSERSZ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate?

The IUPAC name of [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate (CID 170623400) is [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate?

The canonical SMILES for [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CCC(c2cc(Nc3cncc4c3CCS4(=O)=O)n[nH]2)CC1.

What is the InChIKey of [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate?

The InChIKey is PAQKIPYIOSERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-12(2)22-20(26)29-14-5-3-13(4-6-14)16-9-19(25-24-16)23-17-10-21-11-18-15(17)7-8-30(18,27)28/h9-14H,3-8H2,1-2H3,(H,22,26)(H2,23,24,25).

What are the key properties of [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate?

[4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate has a molecular weight of 433.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[(1,1-dioxo-2,3-dihydrothieno[2,3-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170623400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).