2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride

C27H25ClN6O2 — CID 69371010

IUPAC2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cl
InChIInChI=1S/C27H24N6O2.ClH/c1-3-33-26(15-18(2)32-33)27(34)29-20-8-6-9-21(16-20)35-22-11-12-23-24(30-31-25(23)17-22)13-10-19-7-4-5-14-28-19;/h4-17H,3H2,1-2H3,(H,29,34)(H,30,31);1H/b13-10+;
InChIKeyGFKPMKXSNOPEGS-RSGUCCNWSA-N
MW500.99 g/mol
LogP6.12
Rot. Bonds7

About 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride

2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 69371010) has the molecular formula C27H25ClN6O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID69371010
Molecular FormulaC27H25ClN6O2
Molecular Weight500.99 g/mol
Exact Mass500.17
IUPAC Name2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cl
InChIInChI=1S/C27H24N6O2.ClH/c1-3-33-26(15-18(2)32-33)27(34)29-20-8-6-9-21(16-20)35-22-11-12-23-24(30-31-25(23)17-22)13-10-19-7-4-5-14-28-19;/h4-17H,3H2,1-2H3,(H,29,34)(H,30,31);1H/b13-10+;
InChIKeyGFKPMKXSNOPEGS-RSGUCCNWSA-N
XLogP6.12
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US9951086, Example 68
CID 118173098
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
Dihydropyrrolopyrazole, 20b
CID 24776254
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394244
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(pyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 86728689
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-one
CID 122600584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride (CID 69371010) is 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride is CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cl.
What is the InChIKey of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is GFKPMKXSNOPEGS-RSGUCCNWSA-N. The full InChI is InChI=1S/C27H24N6O2.ClH/c1-3-33-26(15-18(2)32-33)27(34)29-20-8-6-9-21(16-20)35-22-11-12-23-24(30-31-25(23)17-22)13-10-19-7-4-5-14-28-19;/h4-17H,3H2,1-2H3,(H,29,34)(H,30,31);1H/b13-10+;.
What are the key properties of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride?
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 500.99 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69371010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).