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

C24H15Cl2N5O5 — CID 10118974

IUPAC1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1COc1ccc(NC(=O)c3cc(Cl)cnc3Cl)cc1-2
InChIInChI=1S/C24H15Cl2N5O5/c25-11-5-15(22(26)28-8-11)24(33)29-12-1-3-17-14(6-12)21-16(9-34-17)20(23(27)32)30-31(21)13-2-4-18-19(7-13)36-10-35-18/h1-8H,9-10H2,(H2,27,32)(H,29,33)
InChIKeyFHPJDNHFYWJZST-UHFFFAOYSA-N
MW524.32 g/mol
LogP4.21
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 10118974) has the molecular formula C24H15Cl2N5O5 and a molecular weight of 524.32 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID10118974
Molecular FormulaC24H15Cl2N5O5
Molecular Weight524.32 g/mol
Exact Mass523.05
IUPAC Name1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1COc1ccc(NC(=O)c3cc(Cl)cnc3Cl)cc1-2
InChIInChI=1S/C24H15Cl2N5O5/c25-11-5-15(22(26)28-8-11)24(33)29-12-1-3-17-14(6-12)21-16(9-34-17)20(23(27)32)30-31(21)13-2-4-18-19(7-13)36-10-35-18/h1-8H,9-10H2,(H2,27,32)(H,29,33)
InChIKeyFHPJDNHFYWJZST-UHFFFAOYSA-N
XLogP4.21
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 10118974) is 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1COc1ccc(NC(=O)c3cc(Cl)cnc3Cl)cc1-2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FHPJDNHFYWJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N5O5/c25-11-5-15(22(26)28-8-11)24(33)29-12-1-3-17-14(6-12)21-16(9-34-17)20(23(27)32)30-31(21)13-2-4-18-19(7-13)36-10-35-18/h1-8H,9-10H2,(H2,27,32)(H,29,33).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 524.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 10118974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).