1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol

C41H37F2N15O — CID 155167611

IUPAC1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
SMILESFc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1.OCc1ccc2nc(Cn3cc(-c4cc(F)cc5[nH]ncc45)nn3)cn2c1
InChIInChI=1S/C23H23FN8.C18H14FN7O/c24-17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15;19-12-3-14(15-5-20-22-16(15)4-12)17-9-26(24-23-17)8-13-7-25-6-11(10-27)1-2-18(25)21-13/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28);1-7,9,27H,8,10H2,(H,20,22)
InChIKeyBZMUBGLLRXTCIW-UHFFFAOYSA-N
MW793.85 g/mol
LogP5.70
Rot. Bonds11

About 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol

1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 155167611) has the molecular formula C41H37F2N15O and a molecular weight of 793.85 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
PubChem CID155167611
Molecular FormulaC41H37F2N15O
Molecular Weight793.85 g/mol
Exact Mass793.33
IUPAC Name1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
SMILESFc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1.OCc1ccc2nc(Cn3cc(-c4cc(F)cc5[nH]ncc45)nn3)cn2c1
InChIInChI=1S/C23H23FN8.C18H14FN7O/c24-17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15;19-12-3-14(15-5-20-22-16(15)4-12)17-9-26(24-23-17)8-13-7-25-6-11(10-27)1-2-18(25)21-13/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28);1-7,9,27H,8,10H2,(H,20,22)
InChIKeyBZMUBGLLRXTCIW-UHFFFAOYSA-N
XLogP5.70
TPSA185.64 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.85
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
The IUPAC name of 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol (CID 155167611) is 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol.
What is the SMILES notation for 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
The canonical SMILES for 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol is Fc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1.OCc1ccc2nc(Cn3cc(-c4cc(F)cc5[nH]ncc45)nn3)cn2c1.
What is the InChIKey of 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
The InChIKey is BZMUBGLLRXTCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8.C18H14FN7O/c24-17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15;19-12-3-14(15-5-20-22-16(15)4-12)17-9-26(24-23-17)8-13-7-25-6-11(10-27)1-2-18(25)21-13/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28);1-7,9,27H,8,10H2,(H,20,22).
What are the key properties of 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 793.85 g/mol, XLogP of 5.70, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 155167611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).