(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide

C19H20N4O2 — CID 26956084

IUPAC(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C19H20N4O2/c1-13(2)23-19-15(11-21-23)10-16(12-20-19)22-18(24)8-7-14-5-4-6-17(9-14)25-3/h4-13H,1-3H3,(H,22,24)/b8-7+
InChIKeyKTCPOYKNGCXTFQ-BQYQJAHWSA-N
MW336.40 g/mol
LogP3.67
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide (PubChem CID 26956084) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
PubChem CID26956084
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C19H20N4O2/c1-13(2)23-19-15(11-21-23)10-16(12-20-19)22-18(24)8-7-14-5-4-6-17(9-14)25-3/h4-13H,1-3H3,(H,22,24)/b8-7+
InChIKeyKTCPOYKNGCXTFQ-BQYQJAHWSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 26956071
(E)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 24516256
(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide
CID 86973464
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
3-(3-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4800856
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide (CID 26956084) is (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
The InChIKey is KTCPOYKNGCXTFQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)23-19-15(11-21-23)10-16(12-20-19)22-18(24)8-7-14-5-4-6-17(9-14)25-3/h4-13H,1-3H3,(H,22,24)/b8-7+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide has a molecular weight of 336.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 26956084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).