5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

C29H24N6O2 — CID 22978065

IUPAC5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESC=CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C29H24N6O2/c1-3-15-35-27(16-19(2)34-35)29(37)31-23-9-6-7-20(17-23)28(36)21-10-12-24-25(32-33-26(24)18-21)13-11-22-8-4-5-14-30-22/h3-14,16-18H,1,15H2,2H3,(H,31,37)(H,32,33)/b13-11+
InChIKeyXUUNXZMEDFJTJM-ACCUITESSA-N
MW488.55 g/mol
LogP5.30
Rot. Bonds8

About 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (PubChem CID 22978065) has the molecular formula C29H24N6O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
PubChem CID22978065
Molecular FormulaC29H24N6O2
Molecular Weight488.55 g/mol
Exact Mass488.20
IUPAC Name5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESC=CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C29H24N6O2/c1-3-15-35-27(16-19(2)34-35)29(37)31-23-9-6-7-20(17-23)28(36)21-10-12-24-25(32-33-26(24)18-21)13-11-22-8-4-5-14-30-22/h3-14,16-18H,1,15H2,2H3,(H,31,37)(H,32,33)/b13-11+
InChIKeyXUUNXZMEDFJTJM-ACCUITESSA-N
XLogP5.30
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (CID 22978065) is 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is C=CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.
What is the InChIKey of 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is XUUNXZMEDFJTJM-ACCUITESSA-N. The full InChI is InChI=1S/C29H24N6O2/c1-3-15-35-27(16-19(2)34-35)29(37)31-23-9-6-7-20(17-23)28(36)21-10-12-24-25(32-33-26(24)18-21)13-11-22-8-4-5-14-30-22/h3-14,16-18H,1,15H2,2H3,(H,31,37)(H,32,33)/b13-11+.
What are the key properties of 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22978065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).