2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide

C24H26N6O5 — CID 66892707

IUPAC2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide
SMILESCC1(C)OCC(Cn2ccc(C(C)(C(N)=O)n3ncc(Oc4cccc5[nH]ccc45)cc3=O)n2)O1
InChIInChI=1S/C24H26N6O5/c1-23(2)33-14-16(35-23)13-29-10-8-20(28-29)24(3,22(25)32)30-21(31)11-15(12-27-30)34-19-6-4-5-18-17(19)7-9-26-18/h4-12,16,26H,13-14H2,1-3H3,(H2,25,32)
InChIKeyLSMNYCYJYMUKES-UHFFFAOYSA-N
MW478.51 g/mol
LogP2.11
Rot. Bonds7

About 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide

2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide (PubChem CID 66892707) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide
PubChem CID66892707
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide
SMILESCC1(C)OCC(Cn2ccc(C(C)(C(N)=O)n3ncc(Oc4cccc5[nH]ccc45)cc3=O)n2)O1
InChIInChI=1S/C24H26N6O5/c1-23(2)33-14-16(35-23)13-29-10-8-20(28-29)24(3,22(25)32)30-21(31)11-15(12-27-30)34-19-6-4-5-18-17(19)7-9-26-18/h4-12,16,26H,13-14H2,1-3H3,(H2,25,32)
InChIKeyLSMNYCYJYMUKES-UHFFFAOYSA-N
XLogP2.11
TPSA139.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide (CID 66892707) is 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide is CC1(C)OCC(Cn2ccc(C(C)(C(N)=O)n3ncc(Oc4cccc5[nH]ccc45)cc3=O)n2)O1.
What is the InChIKey of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is LSMNYCYJYMUKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-23(2)33-14-16(35-23)13-29-10-8-20(28-29)24(3,22(25)32)30-21(31)11-15(12-27-30)34-19-6-4-5-18-17(19)7-9-26-18/h4-12,16,26H,13-14H2,1-3H3,(H2,25,32).
What are the key properties of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide?
2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 478.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(1H-indol-4-yloxy)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 66892707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).