3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H19N5O2S — CID 23858449

IUPAC3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1ccc2c(N)c(C(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)sc2n1
InChIInChI=1S/C20H19N5O2S/c1-11(2)14-9-8-13-17(21)18(28-20(13)22-14)19(27)23-15-10-16(26)25(24-15)12-6-4-3-5-7-12/h3-11,24H,21H2,1-2H3,(H,23,27)
InChIKeyAGJUXOXLMFZXTP-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.73
Rot. Bonds4

About 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23858449) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23858449
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1ccc2c(N)c(C(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)sc2n1
InChIInChI=1S/C20H19N5O2S/c1-11(2)14-9-8-13-17(21)18(28-20(13)22-14)19(27)23-15-10-16(26)25(24-15)12-6-4-3-5-7-12/h3-11,24H,21H2,1-2H3,(H,23,27)
InChIKeyAGJUXOXLMFZXTP-UHFFFAOYSA-N
XLogP3.73
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23916849
3,6-diamino-5-cyano-4-(4-ethylphenyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23743002
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-cyclopropyl-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772104
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23745625
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970146
3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772106
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970201
ethyl 2-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23970102
2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide
CID 19032235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23858449) is 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CC(C)c1ccc2c(N)c(C(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)sc2n1.
What is the InChIKey of 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AGJUXOXLMFZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-11(2)14-9-8-13-17(21)18(28-20(13)22-14)19(27)23-15-10-16(26)25(24-15)12-6-4-3-5-7-12/h3-11,24H,21H2,1-2H3,(H,23,27).
What are the key properties of 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23858449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).