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

C30H28N6O2 — CID 22978234

IUPACN-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c(C)cc1C
InChIInChI=1S/C30H28N6O2/c1-5-36-28(15-20(4)35-36)30(38)32-26-17-24(18(2)14-19(26)3)29(37)21-9-11-23-25(33-34-27(23)16-21)12-10-22-8-6-7-13-31-22/h6-17H,5H2,1-4H3,(H,32,38)(H,33,34)/b12-10+
InChIKeyNZYWPKMWQISCLK-ZRDIBKRKSA-N
MW504.59 g/mol
LogP5.75
Rot. Bonds7

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

N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 22978234) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID22978234
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC NameN-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c(C)cc1C
InChIInChI=1S/C30H28N6O2/c1-5-36-28(15-20(4)35-36)30(38)32-26-17-24(18(2)14-19(26)3)29(37)21-9-11-23-25(33-34-27(23)16-21)12-10-22-8-6-7-13-31-22/h6-17H,5H2,1-4H3,(H,32,38)(H,33,34)/b12-10+
InChIKeyNZYWPKMWQISCLK-ZRDIBKRKSA-N
XLogP5.75
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 ≤ 55.75
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-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 22978234) is N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-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-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c(C)cc1C.
What is the InChIKey of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is NZYWPKMWQISCLK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C30H28N6O2/c1-5-36-28(15-20(4)35-36)30(38)32-26-17-24(18(2)14-19(26)3)29(37)21-9-11-23-25(33-34-27(23)16-21)12-10-22-8-6-7-13-31-22/h6-17H,5H2,1-4H3,(H,32,38)(H,33,34)/b12-10+.
What are the key properties of N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[2,4-dimethyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 5.75, 7 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-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 22978234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).