N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide

C22H19N5O3 — CID 135892262

About N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide

N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 135892262) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 135892262
• Molecular Formula: C22H19N5O3
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.15
• IUPAC Name: N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1cc2ccccc2o1
• InChI: InChI=1S/C22H19N5O3/c28-20-14-5-3-6-15(14)23-22(25-20)27-19(11-16(26-27)12-8-9-12)24-21(29)18-10-13-4-1-2-7-17(13)30-18/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,24,29)(H,23,25,28)
• InChIKey: WJCBQGJDYFOCCK-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide (CID 135892262) is N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide is O=C(Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1cc2ccccc2o1.

What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

The InChIKey is WJCBQGJDYFOCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-20-14-5-3-6-15(14)23-22(25-20)27-19(11-16(26-27)12-8-9-12)24-21(29)18-10-13-4-1-2-7-17(13)30-18/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,24,29)(H,23,25,28).

What are the key properties of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135892262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).