(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone

C19H22N6O3 — CID 126894588

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2ccc3ncnc(OC)c3c2)CC1
InChIInChI=1S/C19H22N6O3/c1-23-11-15(18(22-23)28-3)19(26)25-8-6-24(7-9-25)13-4-5-16-14(10-13)17(27-2)21-12-20-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyXETRCUDJNUAPID-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.34
Rot. Bonds4

About (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone (PubChem CID 126894588) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone
PubChem CID126894588
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2ccc3ncnc(OC)c3c2)CC1
InChIInChI=1S/C19H22N6O3/c1-23-11-15(18(22-23)28-3)19(26)25-8-6-24(7-9-25)13-4-5-16-14(10-13)17(27-2)21-12-20-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyXETRCUDJNUAPID-UHFFFAOYSA-N
XLogP1.34
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
1-[3-hydroxy-3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]azepan-1-yl]ethanone
CID 126894924
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone (CID 126894588) is (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCN(c2ccc3ncnc(OC)c3c2)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone?
The InChIKey is XETRCUDJNUAPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-23-11-15(18(22-23)28-3)19(26)25-8-6-24(7-9-25)13-4-5-16-14(10-13)17(27-2)21-12-20-16/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone has a molecular weight of 382.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126894588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).