6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline

C20H24N6O — CID 126894751

IUPAC6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(Cc4cc5n(n4)CCC5)CC3)cc12
InChIInChI=1S/C20H24N6O/c1-27-20-18-12-16(4-5-19(18)21-14-22-20)25-9-7-24(8-10-25)13-15-11-17-3-2-6-26(17)23-15/h4-5,11-12,14H,2-3,6-10,13H2,1H3
InChIKeyYXGPIYSZQQPSCB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.10
Rot. Bonds4

About 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline

6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline (PubChem CID 126894751) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline.

Molecular Properties

Compound Name6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
PubChem CID126894751
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(Cc4cc5n(n4)CCC5)CC3)cc12
InChIInChI=1S/C20H24N6O/c1-27-20-18-12-16(4-5-19(18)21-14-22-20)25-9-7-24(8-10-25)13-15-11-17-3-2-6-26(17)23-15/h4-5,11-12,14H,2-3,6-10,13H2,1H3
InChIKeyYXGPIYSZQQPSCB-UHFFFAOYSA-N
XLogP2.10
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline with MolForge

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Related Compounds

6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895778
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126894808
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The IUPAC name of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline (CID 126894751) is 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline.
What is the SMILES notation for 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The canonical SMILES for 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline is COc1ncnc2ccc(N3CCN(Cc4cc5n(n4)CCC5)CC3)cc12.
What is the InChIKey of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The InChIKey is YXGPIYSZQQPSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-27-20-18-12-16(4-5-19(18)21-14-22-20)25-9-7-24(8-10-25)13-15-11-17-3-2-6-26(17)23-15/h4-5,11-12,14H,2-3,6-10,13H2,1H3.
What are the key properties of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline has a molecular weight of 364.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline is sourced from PubChem (CID 126894751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).