3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane

C25H34ClN5 — CID 91559456

IUPAC3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane
SMILESCC.CC.CC.CCNc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1
InChIInChI=1S/C19H16ClN5.3C2H6/c1-2-21-14-7-5-6-13(12-14)18-17(15-9-10-22-19(20)23-15)16-8-3-4-11-25(16)24-18;3*1-2/h3-12,21H,2H2,1H3;3*1-2H3
InChIKeyBEWWGZOGFMMRLO-UHFFFAOYSA-N
MW440.04 g/mol
LogP7.62
Rot. Bonds4

About 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane

3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane (PubChem CID 91559456) has the molecular formula C25H34ClN5 and a molecular weight of 440.04 g/mol. Its IUPAC name is 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane.

Molecular Properties

Compound Name3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane
PubChem CID91559456
Molecular FormulaC25H34ClN5
Molecular Weight440.04 g/mol
Exact Mass439.25
IUPAC Name3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane
SMILESCC.CC.CC.CCNc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1
InChIInChI=1S/C19H16ClN5.3C2H6/c1-2-21-14-7-5-6-13(12-14)18-17(15-9-10-22-19(20)23-15)16-8-3-4-11-25(16)24-18;3*1-2/h3-12,21H,2H2,1H3;3*1-2H3
InChIKeyBEWWGZOGFMMRLO-UHFFFAOYSA-N
XLogP7.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.04
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 169427147
CID 169427147
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 59511382
3-(2-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 15158143
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
CID 59513717
N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
CID 59513873
2-chloro-5-fluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513749
2-chloro-4-fluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513782
N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride
CID 44529103
3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 58784245
4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
CID 10308898
2,3,6-trifluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529276
N-[3-[3-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide
CID 59513860

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane?
The IUPAC name of 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane (CID 91559456) is 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane.
What is the SMILES notation for 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane?
The canonical SMILES for 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane is CC.CC.CC.CCNc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1.
What is the InChIKey of 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane?
The InChIKey is BEWWGZOGFMMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5.3C2H6/c1-2-21-14-7-5-6-13(12-14)18-17(15-9-10-22-19(20)23-15)16-8-3-4-11-25(16)24-18;3*1-2/h3-12,21H,2H2,1H3;3*1-2H3.
What are the key properties of 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane?
3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane has a molecular weight of 440.04 g/mol, XLogP of 7.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane is sourced from PubChem (CID 91559456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).