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

C29H26N6O2 — CID 22978099

IUPAC5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C(C)C)n1
InChIInChI=1S/C29H26N6O2/c1-18(2)35-27(15-19(3)34-35)29(37)31-23-9-6-7-20(16-23)28(36)21-10-12-24-25(32-33-26(24)17-21)13-11-22-8-4-5-14-30-22/h4-18H,1-3H3,(H,31,37)(H,32,33)/b13-11+
InChIKeyYEQXUOZKNQOWMU-ACCUITESSA-N
MW490.57 g/mol
LogP5.70
Rot. Bonds7

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

5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (PubChem CID 22978099) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
PubChem CID22978099
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C(C)C)n1
InChIInChI=1S/C29H26N6O2/c1-18(2)35-27(15-19(3)34-35)29(37)31-23-9-6-7-20(16-23)28(36)21-10-12-24-25(32-33-26(24)17-21)13-11-22-8-4-5-14-30-22/h4-18H,1-3H3,(H,31,37)(H,32,33)/b13-11+
InChIKeyYEQXUOZKNQOWMU-ACCUITESSA-N
XLogP5.70
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (CID 22978099) is 5-methyl-2-propan-2-yl-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-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C(C)C)n1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is YEQXUOZKNQOWMU-ACCUITESSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-18(2)35-27(15-19(3)34-35)29(37)31-23-9-6-7-20(16-23)28(36)21-10-12-24-25(32-33-26(24)17-21)13-11-22-8-4-5-14-30-22/h4-18H,1-3H3,(H,31,37)(H,32,33)/b13-11+.
What are the key properties of 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22978099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).