4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid

C22H25ClN6O3 — CID 89443080

IUPAC4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CN(c3nn(-c4ccc(Cl)cc4)c4cnccc34)CCO2)CC1
InChIInChI=1S/C22H25ClN6O3/c23-16-1-3-17(4-2-16)29-20-13-24-6-5-19(20)21(25-29)28-11-12-32-18(15-28)14-26-7-9-27(10-8-26)22(30)31/h1-6,13,18H,7-12,14-15H2,(H,30,31)
InChIKeyVSQFXHIRJAQDTI-UHFFFAOYSA-N
MW456.93 g/mol
LogP2.57
Rot. Bonds4

About 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid

4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 89443080) has the molecular formula C22H25ClN6O3 and a molecular weight of 456.93 g/mol. Its IUPAC name is 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid
PubChem CID89443080
Molecular FormulaC22H25ClN6O3
Molecular Weight456.93 g/mol
Exact Mass456.17
IUPAC Name4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CN(c3nn(-c4ccc(Cl)cc4)c4cnccc34)CCO2)CC1
InChIInChI=1S/C22H25ClN6O3/c23-16-1-3-17(4-2-16)29-20-13-24-6-5-19(20)21(25-29)28-11-12-32-18(15-28)14-26-7-9-27(10-8-26)22(30)31/h1-6,13,18H,7-12,14-15H2,(H,30,31)
InChIKeyVSQFXHIRJAQDTI-UHFFFAOYSA-N
XLogP2.57
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid (CID 89443080) is 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(CC2CN(c3nn(-c4ccc(Cl)cc4)c4cnccc34)CCO2)CC1.
What is the InChIKey of 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is VSQFXHIRJAQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3/c23-16-1-3-17(4-2-16)29-20-13-24-6-5-19(20)21(25-29)28-11-12-32-18(15-28)14-26-7-9-27(10-8-26)22(30)31/h1-6,13,18H,7-12,14-15H2,(H,30,31).
What are the key properties of 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid?
4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 456.93 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 89443080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).