2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine

C25H26ClN5O — CID 90289412

IUPAC2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C25H26ClN5O/c1-30-17-21(19-15-23-22(27-16-19)9-10-24(26)28-23)25(29-30)18-5-7-20(8-6-18)32-14-13-31-11-3-2-4-12-31/h5-10,15-17H,2-4,11-14H2,1H3
InChIKeyYSHIKDOXZMDFCD-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.22
Rot. Bonds6

About 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289412) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289412
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C25H26ClN5O/c1-30-17-21(19-15-23-22(27-16-19)9-10-24(26)28-23)25(29-30)18-5-7-20(8-6-18)32-14-13-31-11-3-2-4-12-31/h5-10,15-17H,2-4,11-14H2,1H3
InChIKeyYSHIKDOXZMDFCD-UHFFFAOYSA-N
XLogP5.22
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90289412) is 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(-c2ccc(OCCN3CCCCC3)cc2)n1.
What is the InChIKey of 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is YSHIKDOXZMDFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-30-17-21(19-15-23-22(27-16-19)9-10-24(26)28-23)25(29-30)18-5-7-20(8-6-18)32-14-13-31-11-3-2-4-12-31/h5-10,15-17H,2-4,11-14H2,1H3.
What are the key properties of 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 447.97 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).