N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide

C25H22N6O — CID 54675540

IUPACN-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2n[nH]c3cc(-c4cnn(C)c4)cc(Nc4ccccc4)c23)c1
InChIInChI=1S/C25H22N6O/c1-16(32)27-21-10-6-7-17(11-21)25-24-22(28-20-8-4-3-5-9-20)12-18(13-23(24)29-30-25)19-14-26-31(2)15-19/h3-15,28H,1-2H3,(H,27,32)(H,29,30)
InChIKeyPVEKOROCFBLOGB-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.33
Rot. Bonds5

About N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide

N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide (PubChem CID 54675540) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
PubChem CID54675540
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2n[nH]c3cc(-c4cnn(C)c4)cc(Nc4ccccc4)c23)c1
InChIInChI=1S/C25H22N6O/c1-16(32)27-21-10-6-7-17(11-21)25-24-22(28-20-8-4-3-5-9-20)12-18(13-23(24)29-30-25)19-14-26-31(2)15-19/h3-15,28H,1-2H3,(H,27,32)(H,29,30)
InChIKeyPVEKOROCFBLOGB-UHFFFAOYSA-N
XLogP5.33
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
(2'S,3R)-2'-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486197
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
3-1H-indazol-4-yl-1-[(9-methyl-9H-carbazol-3-yl)methyl]urea
CID 16749565
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
CID 44540492
5-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 53320263

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide (CID 54675540) is N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2n[nH]c3cc(-c4cnn(C)c4)cc(Nc4ccccc4)c23)c1.
What is the InChIKey of N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide?
The InChIKey is PVEKOROCFBLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-16(32)27-21-10-6-7-17(11-21)25-24-22(28-20-8-4-3-5-9-20)12-18(13-23(24)29-30-25)19-14-26-31(2)15-19/h3-15,28H,1-2H3,(H,27,32)(H,29,30).
What are the key properties of N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide?
N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 54675540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).