7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C27H24N6 — CID 143857968

IUPAC7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCCN1C=C2CC1CC2c1ccnc2c(-c3ccc4cc[nH]c4c3)c(-c3ccncc3)nn12
InChIInChI=1S/C27H24N6/c1-2-32-16-20-13-21(32)15-22(20)24-8-12-30-27-25(19-4-3-17-7-11-29-23(17)14-19)26(31-33(24)27)18-5-9-28-10-6-18/h3-12,14,16,21-22,29H,2,13,15H2,1H3
InChIKeyVKEXEEJIIOTVHA-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.41
Rot. Bonds4

About 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 143857968) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID143857968
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC Name7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCCN1C=C2CC1CC2c1ccnc2c(-c3ccc4cc[nH]c4c3)c(-c3ccncc3)nn12
InChIInChI=1S/C27H24N6/c1-2-32-16-20-13-21(32)15-22(20)24-8-12-30-27-25(19-4-3-17-7-11-29-23(17)14-19)26(31-33(24)27)18-5-9-28-10-6-18/h3-12,14,16,21-22,29H,2,13,15H2,1H3
InChIKeyVKEXEEJIIOTVHA-UHFFFAOYSA-N
XLogP5.41
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 143857968) is 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CCN1C=C2CC1CC2c1ccnc2c(-c3ccc4cc[nH]c4c3)c(-c3ccncc3)nn12.
What is the InChIKey of 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VKEXEEJIIOTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6/c1-2-32-16-20-13-21(32)15-22(20)24-8-12-30-27-25(19-4-3-17-7-11-29-23(17)14-19)26(31-33(24)27)18-5-9-28-10-6-18/h3-12,14,16,21-22,29H,2,13,15H2,1H3.
What are the key properties of 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 432.53 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-2-azabicyclo[2.2.1]hept-3-en-5-yl)-3-(1H-indol-6-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 143857968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).