6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane

C20H22ClN3 — CID 176926239

IUPAC6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane
SMILESCC.CC(C)c1cc2cc(Cl)c(-c3ccc4ccnn4c3)cc2[nH]1
InChIInChI=1S/C18H16ClN3.C2H6/c1-11(2)17-8-13-7-16(19)15(9-18(13)21-17)12-3-4-14-5-6-20-22(14)10-12;1-2/h3-11,21H,1-2H3;1-2H3
InChIKeyQGEAMSKBUSBZJT-UHFFFAOYSA-N
MW339.87 g/mol
LogP6.29
Rot. Bonds2

About 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane

6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane (PubChem CID 176926239) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane.

Molecular Properties

Compound Name6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane
PubChem CID176926239
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane
SMILESCC.CC(C)c1cc2cc(Cl)c(-c3ccc4ccnn4c3)cc2[nH]1
InChIInChI=1S/C18H16ClN3.C2H6/c1-11(2)17-8-13-7-16(19)15(9-18(13)21-17)12-3-4-14-5-6-20-22(14)10-12;1-2/h3-11,21H,1-2H3;1-2H3
InChIKeyQGEAMSKBUSBZJT-UHFFFAOYSA-N
XLogP6.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole
CID 176925862
5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176925759
5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176926248
5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole
CID 176926004
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496
5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane
CID 176926025
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
2,5,6-tri(propan-2-yl)-1H-indole
CID 134294534
6-pyrazolo[1,5-a]pyridin-6-ylnaphthalen-2-ol
CID 167958007
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
1-pyrazolo[1,5-a]pyridin-6-ylethanamine
CID 83826619

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane?
The IUPAC name of 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane (CID 176926239) is 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane.
What is the SMILES notation for 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane?
The canonical SMILES for 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane is CC.CC(C)c1cc2cc(Cl)c(-c3ccc4ccnn4c3)cc2[nH]1.
What is the InChIKey of 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane?
The InChIKey is QGEAMSKBUSBZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3.C2H6/c1-11(2)17-8-13-7-16(19)15(9-18(13)21-17)12-3-4-14-5-6-20-22(14)10-12;1-2/h3-11,21H,1-2H3;1-2H3.
What are the key properties of 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane?
6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane has a molecular weight of 339.87 g/mol, XLogP of 6.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane is sourced from PubChem (CID 176926239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).