(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide

C22H22N6O — CID 134024963

IUPAC(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C22H22N6O/c1-14-19(16(3)28(26-14)18-8-6-5-7-9-18)10-11-21(29)24-17-12-20-15(2)25-27(4)22(20)23-13-17/h5-13H,1-4H3,(H,24,29)/b11-10+
InChIKeyIIEGBYAADQXPCY-ZHACJKMWSA-N
MW386.46 g/mol
LogP3.73
Rot. Bonds4

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

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide (PubChem CID 134024963) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
PubChem CID134024963
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C22H22N6O/c1-14-19(16(3)28(26-14)18-8-6-5-7-9-18)10-11-21(29)24-17-12-20-15(2)25-27(4)22(20)23-13-17/h5-13H,1-4H3,(H,24,29)/b11-10+
InChIKeyIIEGBYAADQXPCY-ZHACJKMWSA-N
XLogP3.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.73
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

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-fluorophenyl)prop-2-enamide
CID 26086463
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55515849
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 26086243
(E)-3-(1,3-benzothiazol-2-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 134024960
(E)-N-(2-bromophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 26719106
(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide
CID 47148686
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124
(E)-N-(2,4-difluorophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 26359677

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide (CID 134024963) is (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide is Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The InChIKey is IIEGBYAADQXPCY-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-19(16(3)28(26-14)18-8-6-5-7-9-18)10-11-21(29)24-17-12-20-15(2)25-27(4)22(20)23-13-17/h5-13H,1-4H3,(H,24,29)/b11-10+.
What are the key properties of (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 134024963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).