2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H25ClFN7O2 — CID 71279400

IUPAC2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C23H25ClFN7O2/c1-2-3-26-23(33)15-12-27-22-20(15)29-17(13-28-22)21-19-16(25)10-14(24)11-18(19)32(30-21)5-4-31-6-8-34-9-7-31/h10-13H,2-9H2,1H3,(H,26,33)(H,27,28)
InChIKeyLQLKZTXTUTYODJ-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.24
Rot. Bonds7

About 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279400) has the molecular formula C23H25ClFN7O2 and a molecular weight of 485.95 g/mol. Its IUPAC name is 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279400
Molecular FormulaC23H25ClFN7O2
Molecular Weight485.95 g/mol
Exact Mass485.17
IUPAC Name2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C23H25ClFN7O2/c1-2-3-26-23(33)15-12-27-22-20(15)29-17(13-28-22)21-19-16(25)10-14(24)11-18(19)32(30-21)5-4-31-6-8-34-9-7-31/h10-13H,2-9H2,1H3,(H,26,33)(H,27,28)
InChIKeyLQLKZTXTUTYODJ-UHFFFAOYSA-N
XLogP3.24
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279400) is 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12.
What is the InChIKey of 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LQLKZTXTUTYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN7O2/c1-2-3-26-23(33)15-12-27-22-20(15)29-17(13-28-22)21-19-16(25)10-14(24)11-18(19)32(30-21)5-4-31-6-8-34-9-7-31/h10-13H,2-9H2,1H3,(H,26,33)(H,27,28).
What are the key properties of 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).