[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H25N5O4S — CID 170623582

About [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170623582) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 170623582
• Molecular Formula: C19H25N5O4S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.16
• IUPAC Name: [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cc4c(cn3)CCS4(=O)=O)n[nH]2)C1
• InChI: InChI=1S/C19H25N5O4S/c1-11(2)21-19(25)28-14-4-3-12(7-14)15-8-18(24-23-15)22-17-9-16-13(10-20-17)5-6-29(16,26)27/h8-12,14H,3-7H2,1-2H3,(H,21,25)(H2,20,22,23,24)/t12-,14+/m0/s1
• InChIKey: QPWSPECQDGTXOF-GXTWGEPZSA-N
• XLogP: 2.65
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 170623582) is [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cc4c(cn3)CCS4(=O)=O)n[nH]2)C1.

What is the InChIKey of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is QPWSPECQDGTXOF-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-11(2)21-19(25)28-14-4-3-12(7-14)15-8-18(24-23-15)22-17-9-16-13(10-20-17)5-6-29(16,26)27/h8-12,14H,3-7H2,1-2H3,(H,21,25)(H2,20,22,23,24)/t12-,14+/m0/s1.

What are the key properties of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 419.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydrothieno[3,2-c]pyridin-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170623582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).