N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide

C18H18N4O2S — CID 97382446

About N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide

N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide (PubChem CID 97382446) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 97382446
• Molecular Formula: C18H18N4O2S
• Molecular Weight: 354.44 g/mol
• Exact Mass: 354.12
• IUPAC Name: N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)c1cccs1
• InChI: InChI=1S/C18H18N4O2S/c23-18(16-5-3-9-25-16)20-10-15-17-13(6-8-24-15)11-22(21-17)12-14-4-1-2-7-19-14/h1-5,7,9,11,15H,6,8,10,12H2,(H,20,23)/t15-/m0/s1
• InChIKey: NPXISCLCDUDLBB-HNNXBMFYSA-N
• XLogP: 2.43
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.44
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide (CID 97382446) is N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)c1cccs1.

What is the InChIKey of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide?

The InChIKey is NPXISCLCDUDLBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-18(16-5-3-9-25-16)20-10-15-17-13(6-8-24-15)11-22(21-17)12-14-4-1-2-7-19-14/h1-5,7,9,11,15H,6,8,10,12H2,(H,20,23)/t15-/m0/s1.

What are the key properties of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide?

N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97382446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).