(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide

C24H28N4O3 — CID 169172989

IUPAC(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)/C=C/c2ccc3c(C)nn(C4CCCCO4)c3c2)c(C)n1
InChIInChI=1S/C24H28N4O3/c1-15-13-22(30-4)25-17(3)24(15)26-21(29)11-9-18-8-10-19-16(2)27-28(20(19)14-18)23-7-5-6-12-31-23/h8-11,13-14,23H,5-7,12H2,1-4H3,(H,26,29)/b11-9+
InChIKeyDPKOFCDYXOBBPE-PKNBQFBNSA-N
MW420.51 g/mol
LogP4.72
Rot. Bonds5

About (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide

(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide (PubChem CID 169172989) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
PubChem CID169172989
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)/C=C/c2ccc3c(C)nn(C4CCCCO4)c3c2)c(C)n1
InChIInChI=1S/C24H28N4O3/c1-15-13-22(30-4)25-17(3)24(15)26-21(29)11-9-18-8-10-19-16(2)27-28(20(19)14-18)23-7-5-6-12-31-23/h8-11,13-14,23H,5-7,12H2,1-4H3,(H,26,29)/b11-9+
InChIKeyDPKOFCDYXOBBPE-PKNBQFBNSA-N
XLogP4.72
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.72
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
The IUPAC name of (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide (CID 169172989) is (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide is COc1cc(C)c(NC(=O)/C=C/c2ccc3c(C)nn(C4CCCCO4)c3c2)c(C)n1.
What is the InChIKey of (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
The InChIKey is DPKOFCDYXOBBPE-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-13-22(30-4)25-17(3)24(15)26-21(29)11-9-18-8-10-19-16(2)27-28(20(19)14-18)23-7-5-6-12-31-23/h8-11,13-14,23H,5-7,12H2,1-4H3,(H,26,29)/b11-9+.
What are the key properties of (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide has a molecular weight of 420.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide is sourced from PubChem (CID 169172989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).