1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H27N5O3 — CID 146102286

IUPAC1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)COC(=O)N4)c12
InChIInChI=1S/C23H27N5O3/c1-12(2)18-10-16(19-13(3)27-28(20(19)25-18)23(4,5)6)21(29)24-15-7-8-17-14(9-15)11-31-22(30)26-17/h7-10,12H,11H2,1-6H3,(H,24,29)(H,26,30)
InChIKeyRYGBPCKQHBTGCV-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.93
Rot. Bonds3

About 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146102286) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146102286
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)COC(=O)N4)c12
InChIInChI=1S/C23H27N5O3/c1-12(2)18-10-16(19-13(3)27-28(20(19)25-18)23(4,5)6)21(29)24-15-7-8-17-14(9-15)11-31-22(30)26-17/h7-10,12H,11H2,1-6H3,(H,24,29)(H,26,30)
InChIKeyRYGBPCKQHBTGCV-UHFFFAOYSA-N
XLogP4.93
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-(3-{1,3,4,6-tetramethyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamido)benzoate
CID 16012630
1,3-Dimethyl 5-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanamido)benzene-1,3-dicarboxylate
CID 16008432
Dimethyl 5-{[3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanoyl]amino}isophthalate
CID 16009056
Ethyl 4-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamido)benzoate
CID 16012510
Ethyl 4-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamido)benzoate
CID 16012613
1,4-Dimethyl 2-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-amido]benzene-1,4-dicarboxylate
CID 3531068
Methyl 4-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-B]pyridin-5-YL]propanamido}benzoate
CID 16012524
methyl 4-({3-[1-(tert-butyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}amino)benzoate
CID 16012617
Propyl 3-[2-(5-methyl-10-hydro-1,2,4-triazolo[4,3-a]quinolinylthio)acetylamino]benzoate
CID 16015157
Ethyl 3-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-B]pyridine-4-amido]benzoate
CID 16019382
Methyl 2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamido)benzoate
CID 16012490
Methyl 2-{[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}benzoate
CID 1097399

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 146102286) is 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)COC(=O)N4)c12.
What is the InChIKey of 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RYGBPCKQHBTGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-12(2)18-10-16(19-13(3)27-28(20(19)25-18)23(4,5)6)21(29)24-15-7-8-17-14(9-15)11-31-22(30)26-17/h7-10,12H,11H2,1-6H3,(H,24,29)(H,26,30).
What are the key properties of 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146102286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).