1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide

C20H19F2N5O2 — CID 86843317

IUPAC1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc12
InChIInChI=1S/C20H19F2N5O2/c1-11-16-9-14(10-23-18(16)26-25-11)24-19(28)12-4-6-27(7-5-12)20(29)15-3-2-13(21)8-17(15)22/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyDQWHTUILDHVCMS-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.04
Rot. Bonds3

About 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide (PubChem CID 86843317) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
PubChem CID86843317
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc12
InChIInChI=1S/C20H19F2N5O2/c1-11-16-9-14(10-23-18(16)26-25-11)24-19(28)12-4-6-27(7-5-12)20(29)15-3-2-13(21)8-17(15)22/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyDQWHTUILDHVCMS-UHFFFAOYSA-N
XLogP3.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 86843582
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 86843484
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 55717016
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide (CID 86843317) is 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide is Cc1[nH]nc2ncc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc12.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The InChIKey is DQWHTUILDHVCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-11-16-9-14(10-23-18(16)26-25-11)24-19(28)12-4-6-27(7-5-12)20(29)15-3-2-13(21)8-17(15)22/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86843317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).