N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C19H22F2N6O — CID 139431447

IUPACN-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NCC(F)(F)CN4CCCC4)c3c2)cn1
InChIInChI=1S/C19H22F2N6O/c1-26-10-14(9-23-26)13-4-5-16-15(8-13)17(25-24-16)18(28)22-11-19(20,21)12-27-6-2-3-7-27/h4-5,8-10H,2-3,6-7,11-12H2,1H3,(H,22,28)(H,24,25)
InChIKeyWCZBDGVTAAIASR-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.42
Rot. Bonds6

About N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431447) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431447
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC NameN-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NCC(F)(F)CN4CCCC4)c3c2)cn1
InChIInChI=1S/C19H22F2N6O/c1-26-10-14(9-23-26)13-4-5-16-15(8-13)17(25-24-16)18(28)22-11-19(20,21)12-27-6-2-3-7-27/h4-5,8-10H,2-3,6-7,11-12H2,1H3,(H,22,28)(H,24,25)
InChIKeyWCZBDGVTAAIASR-UHFFFAOYSA-N
XLogP2.42
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269993
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
5-(2,3-dimethylimidazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 139431435
N-[(4,4-difluorocyclohexyl)methyl]-1-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenamine
CID 139448823
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
CID 106164289
N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381544
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 118381881
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide
CID 166774184
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431447) is N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NCC(F)(F)CN4CCCC4)c3c2)cn1.
What is the InChIKey of N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is WCZBDGVTAAIASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-26-10-14(9-23-26)13-4-5-16-15(8-13)17(25-24-16)18(28)22-11-19(20,21)12-27-6-2-3-7-27/h4-5,8-10H,2-3,6-7,11-12H2,1H3,(H,22,28)(H,24,25).
What are the key properties of N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).