N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C29H26N6O2 — CID 22978233

IUPACN-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c(C)cc2C)n(C)n1
InChIInChI=1S/C29H26N6O2/c1-17-13-18(2)25(31-29(37)27-14-19(3)34-35(27)4)16-23(17)28(36)20-8-10-22-24(32-33-26(22)15-20)11-9-21-7-5-6-12-30-21/h5-16H,1-4H3,(H,31,37)(H,32,33)/b11-9+
InChIKeyMCSNVPCYOVQOFS-PKNBQFBNSA-N
MW490.57 g/mol
LogP5.27
Rot. Bonds6

About N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 22978233) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID22978233
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC NameN-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c(C)cc2C)n(C)n1
InChIInChI=1S/C29H26N6O2/c1-17-13-18(2)25(31-29(37)27-14-19(3)34-35(27)4)16-23(17)28(36)20-8-10-22-24(32-33-26(22)15-20)11-9-21-7-5-6-12-30-21/h5-16H,1-4H3,(H,31,37)(H,32,33)/b11-9+
InChIKeyMCSNVPCYOVQOFS-PKNBQFBNSA-N
XLogP5.27
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 22978233) is N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c(C)cc2C)n(C)n1.
What is the InChIKey of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MCSNVPCYOVQOFS-PKNBQFBNSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-17-13-18(2)25(31-29(37)27-14-19(3)34-35(27)4)16-23(17)28(36)20-8-10-22-24(32-33-26(22)15-20)11-9-21-7-5-6-12-30-21/h5-16H,1-4H3,(H,31,37)(H,32,33)/b11-9+.
What are the key properties of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 22978233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).