N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline

C26H29FN6 — CID 139448978

IUPACN-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESC=C(Nc1ccc(CC2CCN(C)CC2)cc1)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12
InChIInChI=1S/C26H29FN6/c1-17(29-22-6-4-18(5-7-22)12-19-8-10-32(2)11-9-19)25-23-13-20(21-15-28-33(3)16-21)14-24(27)26(23)31-30-25/h4-7,13-16,19,29H,1,8-12H2,2-3H3,(H,30,31)
InChIKeyHUWMCCXGUQMWKB-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.07
Rot. Bonds6

About N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline

N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 139448978) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID139448978
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC NameN-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESC=C(Nc1ccc(CC2CCN(C)CC2)cc1)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12
InChIInChI=1S/C26H29FN6/c1-17(29-22-6-4-18(5-7-22)12-19-8-10-32(2)11-9-19)25-23-13-20(21-15-28-33(3)16-21)14-24(27)26(23)31-30-25/h4-7,13-16,19,29H,1,8-12H2,2-3H3,(H,30,31)
InChIKeyHUWMCCXGUQMWKB-UHFFFAOYSA-N
XLogP5.07
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
CID 139431431
1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine
CID 139449358
(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
CID 139448778
4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoro-N-methyl-2-[3-[4-[(1-methylpiperidin-4-yl)methyl]anilino]buta-1,3-dien-2-yl]aniline
CID 153337129
N-[1-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-3-(piperidin-4-ylmethyl)aniline
CID 139448896
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 139448859
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139448910
6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431401
7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139431378
3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 167798674
N-[(4,4-difluorocyclohexyl)methyl]-1-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenamine
CID 139448823

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline (CID 139448978) is N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline is C=C(Nc1ccc(CC2CCN(C)CC2)cc1)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12.
What is the InChIKey of N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is HUWMCCXGUQMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c1-17(29-22-6-4-18(5-7-22)12-19-8-10-32(2)11-9-19)25-23-13-20(21-15-28-33(3)16-21)14-24(27)26(23)31-30-25/h4-7,13-16,19,29H,1,8-12H2,2-3H3,(H,30,31).
What are the key properties of N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline?
N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 444.56 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 139448978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).