2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol

C27H29N7O2 — CID 59473244

IUPAC2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21
InChIInChI=1S/C27H29N7O2/c1-27(2,35)18-34-24-15-19(3-4-20(24)16-29-34)23-17-33-10-9-28-26(33)25(31-23)30-21-5-7-22(8-6-21)32-11-13-36-14-12-32/h3-10,15-17,35H,11-14,18H2,1-2H3,(H,30,31)
InChIKeyZZQVEUWWJZADCT-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.10
Rot. Bonds6

About 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol

2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol (PubChem CID 59473244) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol
PubChem CID59473244
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21
InChIInChI=1S/C27H29N7O2/c1-27(2,35)18-34-24-15-19(3-4-20(24)16-29-34)23-17-33-10-9-28-26(33)25(31-23)30-21-5-7-22(8-6-21)32-11-13-36-14-12-32/h3-10,15-17,35H,11-14,18H2,1-2H3,(H,30,31)
InChIKeyZZQVEUWWJZADCT-UHFFFAOYSA-N
XLogP4.10
TPSA92.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol (CID 59473244) is 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol is CC(C)(O)Cn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.
What is the InChIKey of 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol?
The InChIKey is ZZQVEUWWJZADCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-27(2,35)18-34-24-15-19(3-4-20(24)16-29-34)23-17-33-10-9-28-26(33)25(31-23)30-21-5-7-22(8-6-21)32-11-13-36-14-12-32/h3-10,15-17,35H,11-14,18H2,1-2H3,(H,30,31).
What are the key properties of 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol?
2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol has a molecular weight of 483.58 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]propan-2-ol is sourced from PubChem (CID 59473244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).