[2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone

C26H26N6O4 — CID 155268864

About [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone

[2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 155268864) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
• PubChem CID: 155268864
• Molecular Formula: C26H26N6O4
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.20
• IUPAC Name: [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
• SMILES: COc1ccc(Cn2nc(C3CC3)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)cc1
• InChI: InChI=1S/C26H26N6O4/c1-36-19-6-2-15(3-7-19)12-32-24(10-20(30-32)16-4-5-16)28-21-8-18(33)9-23(34)25(21)26(35)31-13-17-11-27-29-22(17)14-31/h2-3,6-11,16,28,33-34H,4-5,12-14H2,1H3,(H,27,29)
• InChIKey: ZOAZVVFACQDIRE-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 128.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?

The IUPAC name of [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 155268864) is [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone.

What is the SMILES notation for [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?

The canonical SMILES for [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone is COc1ccc(Cn2nc(C3CC3)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)cc1.

What is the InChIKey of [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?

The InChIKey is ZOAZVVFACQDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-36-19-6-2-15(3-7-19)12-32-24(10-20(30-32)16-4-5-16)28-21-8-18(33)9-23(34)25(21)26(35)31-13-17-11-27-29-22(17)14-31/h2-3,6-11,16,28,33-34H,4-5,12-14H2,1H3,(H,27,29).

What are the key properties of [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?

[2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 486.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 155268864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).