N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C26H26N6O2S — CID 55436856

IUPACN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1sc2ncn(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C26H26N6O2S/c1-14(2)20-11-18(19-12-28-32(15(3)4)23(19)29-20)24(33)30-31-13-27-25-22(26(31)34)21(16(5)35-25)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,30,33)
InChIKeyHRIFLEVRHCNDCM-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.27
Rot. Bonds5

About N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55436856) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55436856
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1sc2ncn(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C26H26N6O2S/c1-14(2)20-11-18(19-12-28-32(15(3)4)23(19)29-20)24(33)30-31-13-27-25-22(26(31)34)21(16(5)35-25)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,30,33)
InChIKeyHRIFLEVRHCNDCM-UHFFFAOYSA-N
XLogP5.27
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24538982
5-bromo-2-fluoro-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)benzamide
CID 55338348
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55338227
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide
CID 56500875
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-(4-phenylphenoxy)propanamide
CID 56501012
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
1-ethyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
CID 8742011
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55436856) is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1sc2ncn(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HRIFLEVRHCNDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-14(2)20-11-18(19-12-28-32(15(3)4)23(19)29-20)24(33)30-31-13-27-25-22(26(31)34)21(16(5)35-25)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,30,33).
What are the key properties of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55436856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).