(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane

C20H27N5O — CID 145408280

IUPAC(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane
SMILESCCC.CCc1cc2c(C(=O)n3nc(N)c4c3CCCC4)ccnc2[nH]1
InChIInChI=1S/C17H19N5O.C3H8/c1-2-10-9-13-11(7-8-19-16(13)20-10)17(23)22-14-6-4-3-5-12(14)15(18)21-22;1-3-2/h7-9H,2-6H2,1H3,(H2,18,21)(H,19,20);3H2,1-2H3
InChIKeyLWJLSBDBNJSUIM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.89
Rot. Bonds2

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane (PubChem CID 145408280) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane.

Molecular Properties

Compound Name(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane
PubChem CID145408280
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane
SMILESCCC.CCc1cc2c(C(=O)n3nc(N)c4c3CCCC4)ccnc2[nH]1
InChIInChI=1S/C17H19N5O.C3H8/c1-2-10-9-13-11(7-8-19-16(13)20-10)17(23)22-14-6-4-3-5-12(14)15(18)21-22;1-3-2/h7-9H,2-6H2,1H3,(H2,18,21)(H,19,20);3H2,1-2H3
InChIKeyLWJLSBDBNJSUIM-UHFFFAOYSA-N
XLogP3.89
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane?
The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane (CID 145408280) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane.
What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane?
The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane is CCC.CCc1cc2c(C(=O)n3nc(N)c4c3CCCC4)ccnc2[nH]1.
What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane?
The InChIKey is LWJLSBDBNJSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.C3H8/c1-2-10-9-13-11(7-8-19-16(13)20-10)17(23)22-14-6-4-3-5-12(14)15(18)21-22;1-3-2/h7-9H,2-6H2,1H3,(H2,18,21)(H,19,20);3H2,1-2H3.
What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane?
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane has a molecular weight of 353.47 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;propane is sourced from PubChem (CID 145408280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).