N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide

C26H26FN5O — CID 155208863

IUPACN-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4cc(Nc5ccccc5F)ccc34)cc2)CC1
InChIInChI=1S/C26H26FN5O/c1-32-14-12-18(13-15-32)17-6-8-19(9-7-17)26(33)29-25-21-11-10-20(16-24(21)30-31-25)28-23-5-3-2-4-22(23)27/h2-11,16,18,28H,12-15H2,1H3,(H2,29,30,31,33)
InChIKeyFWNUHGIUIIVMAN-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.51
Rot. Bonds5

About N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide

N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide (PubChem CID 155208863) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
PubChem CID155208863
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4cc(Nc5ccccc5F)ccc34)cc2)CC1
InChIInChI=1S/C26H26FN5O/c1-32-14-12-18(13-15-32)17-6-8-19(9-7-17)26(33)29-25-21-11-10-20(16-24(21)30-31-25)28-23-5-3-2-4-22(23)27/h2-11,16,18,28H,12-15H2,1H3,(H2,29,30,31,33)
InChIKeyFWNUHGIUIIVMAN-UHFFFAOYSA-N
XLogP5.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-fluoro-4-methylanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208887
N-[6-(2-fluoro-4-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208882
N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208901
tert-butyl 6-(4-chloro-2-fluoroanilino)-3-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]indazole-1-carboxylate
CID 162773518
tert-butyl 6-(2-ethyl-6-fluoroanilino)-3-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]indazole-1-carboxylate
CID 162773530
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide
CID 171471671
4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982585
4-(4-acetylpiperazin-1-yl)-N-[6-(2-fluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]benzamide
CID 155208906
N-(2-fluorophenyl)-3-phenyl-1H-indazol-6-amine
CID 10171794
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208506

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide (CID 155208863) is N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide is CN1CCC(c2ccc(C(=O)Nc3n[nH]c4cc(Nc5ccccc5F)ccc34)cc2)CC1.
What is the InChIKey of N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is FWNUHGIUIIVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-32-14-12-18(13-15-32)17-6-8-19(9-7-17)26(33)29-25-21-11-10-20(16-24(21)30-31-25)28-23-5-3-2-4-22(23)27/h2-11,16,18,28H,12-15H2,1H3,(H2,29,30,31,33).
What are the key properties of N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 443.53 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 155208863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).