N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C26H26N6O3 — CID 170713463

About N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713463) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170713463
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: COCC1CN(Cc2ccc(N3CCn4ncc(C(=O)Nc5cccc(C#N)c5)c4C3=O)cc2)C1
• InChI: InChI=1S/C26H26N6O3/c1-35-17-20-15-30(16-20)14-18-5-7-22(8-6-18)31-9-10-32-24(26(31)34)23(13-28-32)25(33)29-21-4-2-3-19(11-21)12-27/h2-8,11,13,20H,9-10,14-17H2,1H3,(H,29,33)
• InChIKey: GSRNUSHREDIKPM-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 103.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713463) is N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is COCC1CN(Cc2ccc(N3CCn4ncc(C(=O)Nc5cccc(C#N)c5)c4C3=O)cc2)C1.

What is the InChIKey of N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is GSRNUSHREDIKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-35-17-20-15-30(16-20)14-18-5-7-22(8-6-18)31-9-10-32-24(26(31)34)23(13-28-32)25(33)29-21-4-2-3-19(11-21)12-27/h2-8,11,13,20H,9-10,14-17H2,1H3,(H,29,33).

What are the key properties of N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-5-[4-[[3-(methoxymethyl)azetidin-1-yl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).