pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate

C24H17N5O3S — CID 11648186

About pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate

pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate (PubChem CID 11648186) has the molecular formula C24H17N5O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate
• PubChem CID: 11648186
• Molecular Formula: C24H17N5O3S
• Molecular Weight: 455.50 g/mol
• Exact Mass: 455.11
• IUPAC Name: pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate
• SMILES: O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)OCc1cccnc1
• InChI: InChI=1S/C24H17N5O3S/c30-22(21-7-3-11-33-21)19-14-27-29-20(8-10-26-23(19)29)17-5-1-6-18(12-17)28-24(31)32-15-16-4-2-9-25-13-16/h1-14H,15H2,(H,28,31)
• InChIKey: FZNSBOFGWHRUOK-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.50
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate?

The IUPAC name of pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate (CID 11648186) is pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate.

What is the SMILES notation for pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate?

The canonical SMILES for pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate is O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)OCc1cccnc1.

What is the InChIKey of pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate?

The InChIKey is FZNSBOFGWHRUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3S/c30-22(21-7-3-11-33-21)19-14-27-29-20(8-10-26-23(19)29)17-5-1-6-18(12-17)28-24(31)32-15-16-4-2-9-25-13-16/h1-14H,15H2,(H,28,31).

What are the key properties of pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate?

pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate has a molecular weight of 455.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-3-ylmethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate is sourced from PubChem (CID 11648186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).