6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H26N6O3 — CID 135953917

IUPAC6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C26H26N6O3/c1-14(2)32-24-20(12-27-32)19(11-22(29-24)18-10-15(3)35-16(18)4)26(34)31(5)13-23-28-21-9-7-6-8-17(21)25(33)30-23/h6-12,14H,13H2,1-5H3,(H,28,30,33)
InChIKeyIIHZPMKUICALMN-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.40
Rot. Bonds5

About 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 135953917) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID135953917
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C26H26N6O3/c1-14(2)32-24-20(12-27-32)19(11-22(29-24)18-10-15(3)35-16(18)4)26(34)31(5)13-23-28-21-9-7-6-8-17(21)25(33)30-23/h6-12,14H,13H2,1-5H3,(H,28,30,33)
InChIKeyIIHZPMKUICALMN-UHFFFAOYSA-N
XLogP4.40
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylfuran-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18283947
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224
2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
CID 119359044
N-butyl-6-(2,5-dimethylfuran-3-yl)-N-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18268870
N-(1,3-benzothiazol-2-yl)-6-(2,5-dimethylfuran-3-yl)-N-ethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34192670
6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207119
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 135953917) is 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IIHZPMKUICALMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-14(2)32-24-20(12-27-32)19(11-22(29-24)18-10-15(3)35-16(18)4)26(34)31(5)13-23-28-21-9-7-6-8-17(21)25(33)30-23/h6-12,14H,13H2,1-5H3,(H,28,30,33).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 135953917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).