4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline

C19H19N7O — CID 126894707

IUPAC4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
SMILESCOc1ncnc2ccc(N3CCN(c4nccn5nccc45)CC3)cc12
InChIInChI=1S/C19H19N7O/c1-27-19-15-12-14(2-3-16(15)21-13-22-19)24-8-10-25(11-9-24)18-17-4-5-23-26(17)7-6-20-18/h2-7,12-13H,8-11H2,1H3
InChIKeyJOTNORBTGCNBTN-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.01
Rot. Bonds3

About 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline

4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline (PubChem CID 126894707) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
PubChem CID126894707
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
SMILESCOc1ncnc2ccc(N3CCN(c4nccn5nccc45)CC3)cc12
InChIInChI=1S/C19H19N7O/c1-27-19-15-12-14(2-3-16(15)21-13-22-19)24-8-10-25(11-9-24)18-17-4-5-23-26(17)7-6-20-18/h2-7,12-13H,8-11H2,1H3
InChIKeyJOTNORBTGCNBTN-UHFFFAOYSA-N
XLogP2.01
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894896
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897369
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830011
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline (CID 126894707) is 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline is COc1ncnc2ccc(N3CCN(c4nccn5nccc45)CC3)cc12.
What is the InChIKey of 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline?
The InChIKey is JOTNORBTGCNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-27-19-15-12-14(2-3-16(15)21-13-22-19)24-8-10-25(11-9-24)18-17-4-5-23-26(17)7-6-20-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline?
4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline has a molecular weight of 361.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 126894707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).