(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

C22H26N4O3 — CID 134024985

IUPAC(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OCC(C)C
InChIInChI=1S/C22H26N4O3/c1-14(2)13-29-19-8-6-16(10-20(19)28-5)7-9-21(27)24-17-11-18-15(3)25-26(4)22(18)23-12-17/h6-12,14H,13H2,1-5H3,(H,24,27)/b9-7+
InChIKeyIWQHRVTYRPXRBY-VQHVLOKHSA-N
MW394.48 g/mol
LogP3.97
Rot. Bonds7

About (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide (PubChem CID 134024985) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
PubChem CID134024985
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OCC(C)C
InChIInChI=1S/C22H26N4O3/c1-14(2)13-29-19-8-6-16(10-20(19)28-5)7-9-21(27)24-17-11-18-15(3)25-26(4)22(18)23-12-17/h6-12,14H,13H2,1-5H3,(H,24,27)/b9-7+
InChIKeyIWQHRVTYRPXRBY-VQHVLOKHSA-N
XLogP3.97
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 55457385
methyl 4-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 18277917
(E)-N-(3-acetamido-2-methylphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24673568
(E)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24659416
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 154762797
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
(E)-3-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 26956071
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 55573525

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide (CID 134024985) is (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OCC(C)C.
What is the InChIKey of (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The InChIKey is IWQHRVTYRPXRBY-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)13-29-19-8-6-16(10-20(19)28-5)7-9-21(27)24-17-11-18-15(3)25-26(4)22(18)23-12-17/h6-12,14H,13H2,1-5H3,(H,24,27)/b9-7+.
What are the key properties of (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide has a molecular weight of 394.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 134024985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).