[1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C24H24N6O3 — CID 118660110

IUPAC[1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)nn1
InChIInChI=1S/C24H24N6O3/c1-32-21-5-4-19(27-28-21)17-13-25-23(26-14-17)30-15-24(6-7-24)18-3-2-16(12-20(18)30)22(31)29-8-10-33-11-9-29/h2-5,12-14H,6-11,15H2,1H3
InChIKeyHLOMALKVIISVJG-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.60
Rot. Bonds4

About [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118660110) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118660110
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)nn1
InChIInChI=1S/C24H24N6O3/c1-32-21-5-4-19(27-28-21)17-13-25-23(26-14-17)30-15-24(6-7-24)18-3-2-16(12-20(18)30)22(31)29-8-10-33-11-9-29/h2-5,12-14H,6-11,15H2,1H3
InChIKeyHLOMALKVIISVJG-UHFFFAOYSA-N
XLogP2.60
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118660110) is [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)nn1.
What is the InChIKey of [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is HLOMALKVIISVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-21-5-4-19(27-28-21)17-13-25-23(26-14-17)30-15-24(6-7-24)18-3-2-16(12-20(18)30)22(31)29-8-10-33-11-9-29/h2-5,12-14H,6-11,15H2,1H3.
What are the key properties of [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 444.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(6-methoxypyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118660110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).