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

C30H28N6O2 — CID 11341091

IUPAC5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2C)n(C(C)C)n1
InChIInChI=1S/C30H28N6O2/c1-18(2)36-28(15-20(4)35-36)30(38)32-26-16-21(9-8-19(26)3)29(37)22-10-12-24-25(33-34-27(24)17-22)13-11-23-7-5-6-14-31-23/h5-18H,1-4H3,(H,32,38)(H,33,34)/b13-11+
InChIKeyFAJMEFIHVWDBBZ-ACCUITESSA-N
MW504.59 g/mol
LogP6.01
Rot. Bonds7

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

5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 11341091) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID11341091
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2C)n(C(C)C)n1
InChIInChI=1S/C30H28N6O2/c1-18(2)36-28(15-20(4)35-36)30(38)32-26-16-21(9-8-19(26)3)29(37)22-10-12-24-25(33-34-27(24)17-22)13-11-23-7-5-6-14-31-23/h5-18H,1-4H3,(H,32,38)(H,33,34)/b13-11+
InChIKeyFAJMEFIHVWDBBZ-ACCUITESSA-N
XLogP6.01
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 11341091) is 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2C)n(C(C)C)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FAJMEFIHVWDBBZ-ACCUITESSA-N. The full InChI is InChI=1S/C30H28N6O2/c1-18(2)36-28(15-20(4)35-36)30(38)32-26-16-21(9-8-19(26)3)29(37)22-10-12-24-25(33-34-27(24)17-22)13-11-23-7-5-6-14-31-23/h5-18H,1-4H3,(H,32,38)(H,33,34)/b13-11+.
What are the key properties of 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide?
5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11341091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).