2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

C23H27ClN6O2 — CID 90413085

IUPAC2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C23H27ClN6O2/c1-27-8-10-28(11-9-27)22(31)14-19-16-32-13-12-29(19)23-20-6-7-25-15-21(20)30(26-23)18-4-2-17(24)3-5-18/h2-7,15,19H,8-14,16H2,1H3
InChIKeyQJTQBRPMKCVBEJ-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 90413085) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID90413085
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C23H27ClN6O2/c1-27-8-10-28(11-9-27)22(31)14-19-16-32-13-12-29(19)23-20-6-7-25-15-21(20)30(26-23)18-4-2-17(24)3-5-18/h2-7,15,19H,8-14,16H2,1H3
InChIKeyQJTQBRPMKCVBEJ-UHFFFAOYSA-N
XLogP2.44
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 90413085) is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QJTQBRPMKCVBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c1-27-8-10-28(11-9-27)22(31)14-19-16-32-13-12-29(19)23-20-6-7-25-15-21(20)30(26-23)18-4-2-17(24)3-5-18/h2-7,15,19H,8-14,16H2,1H3.
What are the key properties of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 454.96 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 90413085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).