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

C23H29ClN6O — CID 89443141

IUPAC4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
SMILESCN1CCN(CCC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C23H29ClN6O/c1-27-10-12-28(13-11-27)9-7-20-17-31-15-14-29(20)23-21-6-8-25-16-22(21)30(26-23)19-4-2-18(24)3-5-19/h2-6,8,16,20H,7,9-15,17H2,1H3
InChIKeyRXMGUGLBNIJOCG-UHFFFAOYSA-N
MW440.98 g/mol
LogP2.92
Rot. Bonds5

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

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine (PubChem CID 89443141) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
PubChem CID89443141
Molecular FormulaC23H29ClN6O
Molecular Weight440.98 g/mol
Exact Mass440.21
IUPAC Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
SMILESCN1CCN(CCC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C23H29ClN6O/c1-27-10-12-28(13-11-27)9-7-20-17-31-15-14-29(20)23-21-6-8-25-16-22(21)30(26-23)19-4-2-18(24)3-5-19/h2-6,8,16,20H,7,9-15,17H2,1H3
InChIKeyRXMGUGLBNIJOCG-UHFFFAOYSA-N
XLogP2.92
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine (CID 89443141) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine is CN1CCN(CCC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine?
The InChIKey is RXMGUGLBNIJOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O/c1-27-10-12-28(13-11-27)9-7-20-17-31-15-14-29(20)23-21-6-8-25-16-22(21)30(26-23)19-4-2-18(24)3-5-19/h2-6,8,16,20H,7,9-15,17H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine?
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine has a molecular weight of 440.98 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]morpholine is sourced from PubChem (CID 89443141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).