ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate

C24H30N6O2 — CID 166594432

IUPACethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate
SMILES[H]/N=C(OCC)/C(=C\C=C)c1cc(NCc2cccnc2OC)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H30N6O2/c1-7-10-18(23(25)32-8-2)19-13-20(27-14-17-11-9-12-26-24(17)31-6)22-21(28-19)16(5)29-30(22)15(3)4/h7,9-13,15,25H,1,8,14H2,2-6H3,(H,27,28)/b18-10-,25-23-
InChIKeyXJADPOFFELMXTA-YEBGITAWSA-N
MW434.54 g/mol
LogP4.92
Rot. Bonds9

About ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate

ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate (PubChem CID 166594432) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate.

Molecular Properties

Compound Nameethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate
PubChem CID166594432
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Nameethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate
SMILES[H]/N=C(OCC)/C(=C\C=C)c1cc(NCc2cccnc2OC)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H30N6O2/c1-7-10-18(23(25)32-8-2)19-13-20(27-14-17-11-9-12-26-24(17)31-6)22-21(28-19)16(5)29-30(22)15(3)4/h7,9-13,15,25H,1,8,14H2,2-6H3,(H,27,28)/b18-10-,25-23-
InChIKeyXJADPOFFELMXTA-YEBGITAWSA-N
XLogP4.92
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)-2-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]amino]ethanimidamide
CID 138746762
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692678
5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692753
5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 166789977
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692757
5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 138692759
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199
1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
CID 155376493
1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138522157
2-[[3-[6-ethanimidoyl-4-[(2-methoxy-3-pyridinyl)methylamino]-5-methyl-2-pyridinyl]-2-pyridinyl]oxy]ethane-1,1,1,2,2-pentol
CID 145436303
5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155339165

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate?
The IUPAC name of ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate (CID 166594432) is ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate.
What is the SMILES notation for ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate?
The canonical SMILES for ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate is [H]/N=C(OCC)/C(=C\C=C)c1cc(NCc2cccnc2OC)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate?
The InChIKey is XJADPOFFELMXTA-YEBGITAWSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-7-10-18(23(25)32-8-2)19-13-20(27-14-17-11-9-12-26-24(17)31-6)22-21(28-19)16(5)29-30(22)15(3)4/h7,9-13,15,25H,1,8,14H2,2-6H3,(H,27,28)/b18-10-,25-23-.
What are the key properties of ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate?
ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate has a molecular weight of 434.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[7-[(2-methoxy-3-pyridinyl)methylamino]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]penta-2,4-dienimidate is sourced from PubChem (CID 166594432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).