N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C22H26N4O3 — CID 126807842

IUPACN-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(CN(CC2CCC2)C(=O)c2cnc3n[nH]c(C)c3c2)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-14-19-9-17(11-23-21(19)25-24-14)22(27)26(12-15-5-4-6-15)13-16-7-8-18(28-2)10-20(16)29-3/h7-11,15H,4-6,12-13H2,1-3H3,(H,23,24,25)
InChIKeyBRQQCTOMIILEGH-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.73
Rot. Bonds7

About N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 126807842) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID126807842
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(CN(CC2CCC2)C(=O)c2cnc3n[nH]c(C)c3c2)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-14-19-9-17(11-23-21(19)25-24-14)22(27)26(12-15-5-4-6-15)13-16-7-8-18(28-2)10-20(16)29-3/h7-11,15H,4-6,12-13H2,1-3H3,(H,23,24,25)
InChIKeyBRQQCTOMIILEGH-UHFFFAOYSA-N
XLogP3.73
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 126807842) is N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(CN(CC2CCC2)C(=O)c2cnc3n[nH]c(C)c3c2)c(OC)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BRQQCTOMIILEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-19-9-17(11-23-21(19)25-24-14)22(27)26(12-15-5-4-6-15)13-16-7-8-18(28-2)10-20(16)29-3/h7-11,15H,4-6,12-13H2,1-3H3,(H,23,24,25).
What are the key properties of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 126807842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).