1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone

C27H28N6O2 — CID 10276818

IUPAC1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone
SMILESCN1CCN(C(=O)COc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)CC1
InChIInChI=1S/C27H28N6O2/c1-31-13-15-32(16-14-31)25(34)18-35-19-7-8-20-21(9-11-29-23(20)17-19)26-24-6-4-12-33(24)30-27(26)22-5-2-3-10-28-22/h2-3,5,7-11,17H,4,6,12-16,18H2,1H3
InChIKeyHDUSLUAJQKGFQZ-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone

1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone (PubChem CID 10276818) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone
PubChem CID10276818
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone
SMILESCN1CCN(C(=O)COc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)CC1
InChIInChI=1S/C27H28N6O2/c1-31-13-15-32(16-14-31)25(34)18-35-19-7-8-20-21(9-11-29-23(20)17-19)26-24-6-4-12-33(24)30-27(26)22-5-2-3-10-28-22/h2-3,5,7-11,17H,4,6,12-16,18H2,1H3
InChIKeyHDUSLUAJQKGFQZ-UHFFFAOYSA-N
XLogP3.26
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone (CID 10276818) is 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone is CN1CCN(C(=O)COc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone?
The InChIKey is HDUSLUAJQKGFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-31-13-15-32(16-14-31)25(34)18-35-19-7-8-20-21(9-11-29-23(20)17-19)26-24-6-4-12-33(24)30-27(26)22-5-2-3-10-28-22/h2-3,5,7-11,17H,4,6,12-16,18H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone?
1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone has a molecular weight of 468.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethanone is sourced from PubChem (CID 10276818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).