5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C19H19F2N5O — CID 155341280

IUPAC5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCC1(C)CCC1NC(=O)c1nc(Nc2cc(F)cc(F)c2)cc2cn[nH]c12
InChIInChI=1S/C19H19F2N5O/c1-19(2)4-3-14(19)24-18(27)17-16-10(9-22-26-16)5-15(25-17)23-13-7-11(20)6-12(21)8-13/h5-9,14H,3-4H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPIZWIJDVEMWIHV-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.90
Rot. Bonds4

About 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155341280) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155341280
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCC1(C)CCC1NC(=O)c1nc(Nc2cc(F)cc(F)c2)cc2cn[nH]c12
InChIInChI=1S/C19H19F2N5O/c1-19(2)4-3-14(19)24-18(27)17-16-10(9-22-26-16)5-15(25-17)23-13-7-11(20)6-12(21)8-13/h5-9,14H,3-4H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPIZWIJDVEMWIHV-UHFFFAOYSA-N
XLogP3.90
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155341280) is 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is CC1(C)CCC1NC(=O)c1nc(Nc2cc(F)cc(F)c2)cc2cn[nH]c12.
What is the InChIKey of 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is PIZWIJDVEMWIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-19(2)4-3-14(19)24-18(27)17-16-10(9-22-26-16)5-15(25-17)23-13-7-11(20)6-12(21)8-13/h5-9,14H,3-4H2,1-2H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155341280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).