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

C22H29FN6O — CID 139448910

IUPACN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
SMILESCc1cc(-c2cnn(C)c2)cc2c(C(=O)NC3CCN(CC(C)(C)F)CC3)[nH]nc12
InChIInChI=1S/C22H29FN6O/c1-14-9-15(16-11-24-28(4)12-16)10-18-19(14)26-27-20(18)21(30)25-17-5-7-29(8-6-17)13-22(2,3)23/h9-12,17H,5-8,13H2,1-4H3,(H,25,30)(H,26,27)
InChIKeyMVTZRSOBTXPQNE-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.21
Rot. Bonds5

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

N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide (PubChem CID 139448910) has the molecular formula C22H29FN6O and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
PubChem CID139448910
Molecular FormulaC22H29FN6O
Molecular Weight412.51 g/mol
Exact Mass412.24
IUPAC NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
SMILESCc1cc(-c2cnn(C)c2)cc2c(C(=O)NC3CCN(CC(C)(C)F)CC3)[nH]nc12
InChIInChI=1S/C22H29FN6O/c1-14-9-15(16-11-24-28(4)12-16)10-18-19(14)26-27-20(18)21(30)25-17-5-7-29(8-6-17)13-22(2,3)23/h9-12,17H,5-8,13H2,1-4H3,(H,25,30)(H,26,27)
InChIKeyMVTZRSOBTXPQNE-UHFFFAOYSA-N
XLogP3.21
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139431378
5-(2,3-dimethylimidazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 139431435
7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
CID 139431431
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
5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154738846

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide (CID 139448910) is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide is Cc1cc(-c2cnn(C)c2)cc2c(C(=O)NC3CCN(CC(C)(C)F)CC3)[nH]nc12.
What is the InChIKey of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
The InChIKey is MVTZRSOBTXPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6O/c1-14-9-15(16-11-24-28(4)12-16)10-18-19(14)26-27-20(18)21(30)25-17-5-7-29(8-6-17)13-22(2,3)23/h9-12,17H,5-8,13H2,1-4H3,(H,25,30)(H,26,27).
What are the key properties of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 139448910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).