1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C26H20N4O6 — CID 10116908

IUPAC1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc3c(c1)OCO3)CO2
InChIInChI=1S/C26H20N4O6/c1-13-16(3-2-4-19(13)31)26(33)28-14-5-7-20-17(9-14)24-18(11-34-20)23(25(27)32)29-30(24)15-6-8-21-22(10-15)36-12-35-21/h2-10,31H,11-12H2,1H3,(H2,27,32)(H,28,33)
InChIKeyVZYLEUZZPZAQEF-UHFFFAOYSA-N
MW484.47 g/mol
LogP3.53
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide

1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 10116908) has the molecular formula C26H20N4O6 and a molecular weight of 484.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID10116908
Molecular FormulaC26H20N4O6
Molecular Weight484.47 g/mol
Exact Mass484.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc3c(c1)OCO3)CO2
InChIInChI=1S/C26H20N4O6/c1-13-16(3-2-4-19(13)31)26(33)28-14-5-7-20-17(9-14)24-18(11-34-20)23(25(27)32)29-30(24)15-6-8-21-22(10-15)36-12-35-21/h2-10,31H,11-12H2,1H3,(H2,27,32)(H,28,33)
InChIKeyVZYLEUZZPZAQEF-UHFFFAOYSA-N
XLogP3.53
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 10116908) is 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide is Cc1c(O)cccc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc3c(c1)OCO3)CO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is VZYLEUZZPZAQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O6/c1-13-16(3-2-4-19(13)31)26(33)28-14-5-7-20-17(9-14)24-18(11-34-20)23(25(27)32)29-30(24)15-6-8-21-22(10-15)36-12-35-21/h2-10,31H,11-12H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 484.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 10116908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).