N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H23N5O2S — CID 55571789

IUPACN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1sc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C27H23N5O2S/c1-15-21-19(14-20(17-10-6-4-7-11-17)29-25(21)32(3)31-15)26(34)30-27-23(24(28)33)22(16(2)35-27)18-12-8-5-9-13-18/h4-14H,1-3H3,(H2,28,33)(H,30,34)
InChIKeyFBIZJNIVLAVPGZ-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.33
Rot. Bonds5

About N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55571789) has the molecular formula C27H23N5O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55571789
Molecular FormulaC27H23N5O2S
Molecular Weight481.58 g/mol
Exact Mass481.16
IUPAC NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1sc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C27H23N5O2S/c1-15-21-19(14-20(17-10-6-4-7-11-17)29-25(21)32(3)31-15)26(34)30-27-23(24(28)33)22(16(2)35-27)18-12-8-5-9-13-18/h4-14H,1-3H3,(H2,28,33)(H,30,34)
InChIKeyFBIZJNIVLAVPGZ-UHFFFAOYSA-N
XLogP5.33
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015895
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31171942
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60549386
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119641473
N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 997168

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55571789) is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1sc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FBIZJNIVLAVPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2S/c1-15-21-19(14-20(17-10-6-4-7-11-17)29-25(21)32(3)31-15)26(34)30-27-23(24(28)33)22(16(2)35-27)18-12-8-5-9-13-18/h4-14H,1-3H3,(H2,28,33)(H,30,34).
What are the key properties of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).