7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide

C21H26ClFN6O — CID 139431378

IUPAC7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
SMILESCn1cc(-c2cc(Cl)c3n[nH]c(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)cn1
InChIInChI=1S/C21H26ClFN6O/c1-21(2,23)12-29-6-4-15(5-7-29)25-20(30)19-16-8-13(14-10-24-28(3)11-14)9-17(22)18(16)26-27-19/h8-11,15H,4-7,12H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyBWMZMPUXZAFBBS-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.56
Rot. Bonds5

About 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide

7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide (PubChem CID 139431378) has the molecular formula C21H26ClFN6O and a molecular weight of 432.93 g/mol. Its IUPAC name is 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
PubChem CID139431378
Molecular FormulaC21H26ClFN6O
Molecular Weight432.93 g/mol
Exact Mass432.18
IUPAC Name7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
SMILESCn1cc(-c2cc(Cl)c3n[nH]c(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)cn1
InChIInChI=1S/C21H26ClFN6O/c1-21(2,23)12-29-6-4-15(5-7-29)25-20(30)19-16-8-13(14-10-24-28(3)11-14)9-17(22)18(16)26-27-19/h8-11,15H,4-7,12H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyBWMZMPUXZAFBBS-UHFFFAOYSA-N
XLogP3.56
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139448910
7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
CID 139431431
5-(2,3-dimethylimidazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 139431435
N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431447
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
CID 139448778
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
CID 139448978
5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 170781528
3-[1-(2,2-difluoropropyl)piperidin-4-yl]-6-(1-methylpyrazol-4-yl)isoquinoline
CID 166954333
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
The IUPAC name of 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide (CID 139431378) is 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
The canonical SMILES for 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide is Cn1cc(-c2cc(Cl)c3n[nH]c(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)cn1.
What is the InChIKey of 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
The InChIKey is BWMZMPUXZAFBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN6O/c1-21(2,23)12-29-6-4-15(5-7-29)25-20(30)19-16-8-13(14-10-24-28(3)11-14)9-17(22)18(16)26-27-19/h8-11,15H,4-7,12H2,1-3H3,(H,25,30)(H,26,27).
What are the key properties of 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 139431378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).