1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H30N4O4 — CID 55797489

IUPAC1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NC(C)c3ccc(OCCOC)c(OC)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C27H30N4O4/c1-5-31-26-22(17-28-31)21(16-23(30-26)19-9-7-6-8-10-19)27(32)29-18(2)20-11-12-24(25(15-20)34-4)35-14-13-33-3/h6-12,15-18H,5,13-14H2,1-4H3,(H,29,32)
InChIKeyNMPCCCLCEISBOD-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.64
Rot. Bonds10

About 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55797489) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55797489
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NC(C)c3ccc(OCCOC)c(OC)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C27H30N4O4/c1-5-31-26-22(17-28-31)21(16-23(30-26)19-9-7-6-8-10-19)27(32)29-18(2)20-11-12-24(25(15-20)34-4)35-14-13-33-3/h6-12,15-18H,5,13-14H2,1-4H3,(H,29,32)
InChIKeyNMPCCCLCEISBOD-UHFFFAOYSA-N
XLogP4.64
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822594
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531682
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594915
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55819706
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532182
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51315677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55797489) is 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NC(C)c3ccc(OCCOC)c(OC)c3)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NMPCCCLCEISBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-5-31-26-22(17-28-31)21(16-23(30-26)19-9-7-6-8-10-19)27(32)29-18(2)20-11-12-24(25(15-20)34-4)35-14-13-33-3/h6-12,15-18H,5,13-14H2,1-4H3,(H,29,32).
What are the key properties of 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55797489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).