N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

C23H21ClF2N6O3 — CID 164717871

About N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164717871) has the molecular formula C23H21ClF2N6O3 and a molecular weight of 502.91 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164717871
• Molecular Formula: C23H21ClF2N6O3
• Molecular Weight: 502.91 g/mol
• Exact Mass: 502.13
• IUPAC Name: N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: O=C(Nc1cn2cc(-c3c(Cl)c(F)c(C(O)C4CCCOC4)c4[nH]ncc34)ncc2n1)C1CC1F
• InChI: InChI=1S/C23H21ClF2N6O3/c24-19-17(12-5-28-31-21(12)18(20(19)26)22(33)10-2-1-3-35-9-10)14-7-32-8-15(29-16(32)6-27-14)30-23(34)11-4-13(11)25/h5-8,10-11,13,22,33H,1-4,9H2,(H,28,31)(H,30,34)
• InChIKey: FDIYUXHZFLBZLO-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 117.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.91
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164717871) is N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(Cl)c(F)c(C(O)C4CCCOC4)c4[nH]ncc34)ncc2n1)C1CC1F.

What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is FDIYUXHZFLBZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6O3/c24-19-17(12-5-28-31-21(12)18(20(19)26)22(33)10-2-1-3-35-9-10)14-7-32-8-15(29-16(32)6-27-14)30-23(34)11-4-13(11)25/h5-8,10-11,13,22,33H,1-4,9H2,(H,28,31)(H,30,34).

What are the key properties of N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 502.91 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164717871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).