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

C24H27ClFN7O2 — CID 71279732

IUPAC2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H27ClFN7O2/c1-2-4-27-24(34)16-13-28-23-21(16)30-18(14-29-23)22-20-17(26)11-15(25)12-19(20)33(31-22)6-3-5-32-7-9-35-10-8-32/h11-14H,2-10H2,1H3,(H,27,34)(H,28,29)
InChIKeyMISCECXUJVSTIE-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.63
Rot. Bonds8

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

2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279732) has the molecular formula C24H27ClFN7O2 and a molecular weight of 499.98 g/mol. Its IUPAC name is 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279732
Molecular FormulaC24H27ClFN7O2
Molecular Weight499.98 g/mol
Exact Mass499.19
IUPAC Name2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H27ClFN7O2/c1-2-4-27-24(34)16-13-28-23-21(16)30-18(14-29-23)22-20-17(26)11-15(25)12-19(20)33(31-22)6-3-5-32-7-9-35-10-8-32/h11-14H,2-10H2,1H3,(H,27,34)(H,28,29)
InChIKeyMISCECXUJVSTIE-UHFFFAOYSA-N
XLogP3.63
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 53.63
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-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279732) is 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)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-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12.
What is the InChIKey of 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MISCECXUJVSTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN7O2/c1-2-4-27-24(34)16-13-28-23-21(16)30-18(14-29-23)22-20-17(26)11-15(25)12-19(20)33(31-22)6-3-5-32-7-9-35-10-8-32/h11-14H,2-10H2,1H3,(H,27,34)(H,28,29).
What are the key properties of 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 3.63, 8 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-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).