6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H29N5O2 — CID 55951668

IUPAC6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C27H29N5O2/c1-18(2)32-26-24(17-28-32)23(16-25(30-26)22-10-5-4-7-19(22)3)27(33)29-20-8-6-9-21(15-20)31-11-13-34-14-12-31/h4-10,15-18H,11-14H2,1-3H3,(H,29,33)
InChIKeyHZPSDCQYLBHNSJ-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.08
Rot. Bonds5

About 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55951668) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55951668
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C27H29N5O2/c1-18(2)32-26-24(17-28-32)23(16-25(30-26)22-10-5-4-7-19(22)3)27(33)29-20-8-6-9-21(15-20)31-11-13-34-14-12-31/h4-10,15-18H,11-14H2,1-3H3,(H,29,33)
InChIKeyHZPSDCQYLBHNSJ-UHFFFAOYSA-N
XLogP5.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24574898
N-(1-acetyl-2,3-dihydroindol-5-yl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51533495
N-[4-(diethylcarbamoyl)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46699731
6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52846168
6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494038
N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55797428
N-(2-methyl-5-methylsulfonylphenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134011934
2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78835736
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55951668) is 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HZPSDCQYLBHNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-18(2)32-26-24(17-28-32)23(16-25(30-26)22-10-5-4-7-19(22)3)27(33)29-20-8-6-9-21(15-20)31-11-13-34-14-12-31/h4-10,15-18H,11-14H2,1-3H3,(H,29,33).
What are the key properties of 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55951668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).