N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H22F2N6O2 — CID 19590509

IUPACN-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2OC(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H22F2N6O2/c1-11-18(13(3)29(4)27-11)16-10-14(19-12(2)28-30(5)20(19)25-16)21(31)26-15-8-6-7-9-17(15)32-22(23)24/h6-10,22H,1-5H3,(H,26,31)
InChIKeyKCLMWKCLJLSLAE-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19590509) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19590509
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC NameN-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2OC(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H22F2N6O2/c1-11-18(13(3)29(4)27-11)16-10-14(19-12(2)28-30(5)20(19)25-16)21(31)26-15-8-6-7-9-17(15)32-22(23)24/h6-10,22H,1-5H3,(H,26,31)
InChIKeyKCLMWKCLJLSLAE-UHFFFAOYSA-N
XLogP4.15
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 19590509) is N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2OC(F)F)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KCLMWKCLJLSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c1-11-18(13(3)29(4)27-11)16-10-14(19-12(2)28-30(5)20(19)25-16)21(31)26-15-8-6-7-9-17(15)32-22(23)24/h6-10,22H,1-5H3,(H,26,31).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).