N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H23N5O3S — CID 16594915

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H23N5O3S/c1-4-31-24-20(14-27-31)18(13-21(28-24)16-8-6-5-7-9-16)25(32)30-26-29-22(15-35-26)19-12-17(33-2)10-11-23(19)34-3/h5-15H,4H2,1-3H3,(H,29,30,32)
InChIKeyCDZABVIDRJZERX-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.51
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16594915) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16594915
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H23N5O3S/c1-4-31-24-20(14-27-31)18(13-21(28-24)16-8-6-5-7-9-16)25(32)30-26-29-22(15-35-26)19-12-17(33-2)10-11-23(19)34-3/h5-15H,4H2,1-3H3,(H,29,30,32)
InChIKeyCDZABVIDRJZERX-UHFFFAOYSA-N
XLogP5.51
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51315677
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059999
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121023820
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55797489

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16594915) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CDZABVIDRJZERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-4-31-24-20(14-27-31)18(13-21(28-24)16-8-6-5-7-9-16)25(32)30-26-29-22(15-35-26)19-12-17(33-2)10-11-23(19)34-3/h5-15H,4H2,1-3H3,(H,29,30,32).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16594915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).