N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C20H18ClN5O2 — CID 45248622

About N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 45248622) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
• PubChem CID: 45248622
• Molecular Formula: C20H18ClN5O2
• Molecular Weight: 395.85 g/mol
• Exact Mass: 395.11
• IUPAC Name: N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
• SMILES: O=C(NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1)c1cc(C2CC2)[nH]n1
• InChI: InChI=1S/C20H18ClN5O2/c21-15-7-12(18-10-22-3-4-23-18)5-13-6-14(28-19(13)15)9-24-20(27)17-8-16(25-26-17)11-1-2-11/h3-5,7-8,10-11,14H,1-2,6,9H2,(H,24,27)(H,25,26)
• InChIKey: LSWVPCAATSMQML-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.85
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 45248622) is N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1)c1cc(C2CC2)[nH]n1.

What is the InChIKey of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?

The InChIKey is LSWVPCAATSMQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-15-7-12(18-10-22-3-4-23-18)5-13-6-14(28-19(13)15)9-24-20(27)17-8-16(25-26-17)11-1-2-11/h3-5,7-8,10-11,14H,1-2,6,9H2,(H,24,27)(H,25,26).

What are the key properties of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?

N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45248622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).