3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine

C22H23ClN6O — CID 67379060

IUPAC3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(N2CCNCC2)ccc1N1C=C(Cl)C(c2cnn3ccccc23)=NC1
InChIInChI=1S/C22H23ClN6O/c1-30-21-12-16(27-10-7-24-8-11-27)5-6-20(21)28-14-18(23)22(25-15-28)17-13-26-29-9-3-2-4-19(17)29/h2-6,9,12-14,24H,7-8,10-11,15H2,1H3
InChIKeyIBLKIFXMELYHQK-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.10
Rot. Bonds4

About 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine

3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine (PubChem CID 67379060) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine
PubChem CID67379060
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(N2CCNCC2)ccc1N1C=C(Cl)C(c2cnn3ccccc23)=NC1
InChIInChI=1S/C22H23ClN6O/c1-30-21-12-16(27-10-7-24-8-11-27)5-6-20(21)28-14-18(23)22(25-15-28)17-13-26-29-9-3-2-4-19(17)29/h2-6,9,12-14,24H,7-8,10-11,15H2,1H3
InChIKeyIBLKIFXMELYHQK-UHFFFAOYSA-N
XLogP3.10
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine (CID 67379060) is 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine is COc1cc(N2CCNCC2)ccc1N1C=C(Cl)C(c2cnn3ccccc23)=NC1.
What is the InChIKey of 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is IBLKIFXMELYHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-30-21-12-16(27-10-7-24-8-11-27)5-6-20(21)28-14-18(23)22(25-15-28)17-13-26-29-9-3-2-4-19(17)29/h2-6,9,12-14,24H,7-8,10-11,15H2,1H3.
What are the key properties of 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine?
3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 422.92 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-(2-methoxy-4-piperazin-1-ylphenyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 67379060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).