4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine

C25H35N5O3 — CID 176847739

IUPAC4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine
SMILESCc1c(OC(C)C)ccc2c1c(C1=NN(C)CC(N3CCOCC3)=C1)nn2C1CCCCO1
InChIInChI=1S/C25H35N5O3/c1-17(2)33-22-9-8-21-24(18(22)3)25(27-30(21)23-7-5-6-12-32-23)20-15-19(16-28(4)26-20)29-10-13-31-14-11-29/h8-9,15,17,23H,5-7,10-14,16H2,1-4H3
InChIKeyPVUWXVMWAWJDTP-UHFFFAOYSA-N
MW453.59 g/mol
LogP3.70
Rot. Bonds5

About 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine

4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine (PubChem CID 176847739) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine
PubChem CID176847739
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine
SMILESCc1c(OC(C)C)ccc2c1c(C1=NN(C)CC(N3CCOCC3)=C1)nn2C1CCCCO1
InChIInChI=1S/C25H35N5O3/c1-17(2)33-22-9-8-21-24(18(22)3)25(27-30(21)23-7-5-6-12-32-23)20-15-19(16-28(4)26-20)29-10-13-31-14-11-29/h8-9,15,17,23H,5-7,10-14,16H2,1-4H3
InChIKeyPVUWXVMWAWJDTP-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine (CID 176847739) is 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine is Cc1c(OC(C)C)ccc2c1c(C1=NN(C)CC(N3CCOCC3)=C1)nn2C1CCCCO1.
What is the InChIKey of 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine?
The InChIKey is PVUWXVMWAWJDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-17(2)33-22-9-8-21-24(18(22)3)25(27-30(21)23-7-5-6-12-32-23)20-15-19(16-28(4)26-20)29-10-13-31-14-11-29/h8-9,15,17,23H,5-7,10-14,16H2,1-4H3.
What are the key properties of 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine?
4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine has a molecular weight of 453.59 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[4-methyl-1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]-3H-pyridazin-4-yl]morpholine is sourced from PubChem (CID 176847739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).