ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C26H27N5O4 — CID 19416130

About ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 19416130) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 19416130
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccc(CN5CCCCC5)o4)c3)ccnc12
• InChI: InChI=1S/C26H27N5O4/c1-2-34-26(33)21-16-28-31-22(11-12-27-24(21)31)18-7-6-8-19(15-18)29-25(32)23-10-9-20(35-23)17-30-13-4-3-5-14-30/h6-12,15-16H,2-5,13-14,17H2,1H3,(H,29,32)
• InChIKey: RFMQSHFXFCPJQV-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 101.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 19416130) is ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccc(CN5CCCCC5)o4)c3)ccnc12.

What is the InChIKey of ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is RFMQSHFXFCPJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-2-34-26(33)21-16-28-31-22(11-12-27-24(21)31)18-7-6-8-19(15-18)29-25(32)23-10-9-20(35-23)17-30-13-4-3-5-14-30/h6-12,15-16H,2-5,13-14,17H2,1H3,(H,29,32).

What are the key properties of ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 19416130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).