7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

C24H31N5O3 — CID 108774871

IUPAC7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC1)CC2=O
InChIInChI=1S/C24H31N5O3/c1-17-25-22(15-23(26-17)29-12-10-27(2)11-13-29)28-8-6-24(7-9-28)16-20(30)19-5-4-18(31-3)14-21(19)32-24/h4-5,14-15H,6-13,16H2,1-3H3
InChIKeyWFZLUSYRAZJPEZ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.55
Rot. Bonds3

About 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774871) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774871
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC1)CC2=O
InChIInChI=1S/C24H31N5O3/c1-17-25-22(15-23(26-17)29-12-10-27(2)11-13-29)28-8-6-24(7-9-28)16-20(30)19-5-4-18(31-3)14-21(19)32-24/h4-5,14-15H,6-13,16H2,1-3H3
InChIKeyWFZLUSYRAZJPEZ-UHFFFAOYSA-N
XLogP2.55
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774874
6-chloro-7-methyl-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774694
7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774888
1'-(1,3-benzoxazol-2-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774866
methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774860
6-methoxy-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774848
6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778692
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770657
7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774871) is 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC1)CC2=O.
What is the InChIKey of 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is WFZLUSYRAZJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17-25-22(15-23(26-17)29-12-10-27(2)11-13-29)28-8-6-24(7-9-28)16-20(30)19-5-4-18(31-3)14-21(19)32-24/h4-5,14-15H,6-13,16H2,1-3H3.
What are the key properties of 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 437.54 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).