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

C24H27ClFN7O2 — CID 71279729

IUPAC2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H27ClFN7O2/c1-14(2)29-24(34)16-12-27-23-21(16)30-18(13-28-23)22-20-17(26)10-15(25)11-19(20)33(31-22)5-3-4-32-6-8-35-9-7-32/h10-14H,3-9H2,1-2H3,(H,27,28)(H,29,34)
InChIKeyCBBBUMFWQKIJRK-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.63
Rot. Bonds7

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

2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279729) 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-propan-2-yl-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-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279729
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-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H27ClFN7O2/c1-14(2)29-24(34)16-12-27-23-21(16)30-18(13-28-23)22-20-17(26)10-15(25)11-19(20)33(31-22)5-3-4-32-6-8-35-9-7-32/h10-14H,3-9H2,1-2H3,(H,27,28)(H,29,34)
InChIKeyCBBBUMFWQKIJRK-UHFFFAOYSA-N
XLogP3.63
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-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-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279729) is 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-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-propan-2-yl-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-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=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-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is CBBBUMFWQKIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN7O2/c1-14(2)29-24(34)16-12-27-23-21(16)30-18(13-28-23)22-20-17(26)10-15(25)11-19(20)33(31-22)5-3-4-32-6-8-35-9-7-32/h10-14H,3-9H2,1-2H3,(H,27,28)(H,29,34).
What are the key properties of 2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-chloro-4-fluoro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 3.63, 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-(3-morpholin-4-ylpropyl)indazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).