1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide

C27H31FN6O2 — CID 169077805

IUPAC1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide
SMILESCc1cn2cc(-c3cc(NC(=O)c4cn(C(C)(C)C)cn4)c(F)cc3C)cc(N3CCOCC3)c2n1
InChIInChI=1S/C27H31FN6O2/c1-17-10-21(28)22(31-26(35)23-15-34(16-29-23)27(3,4)5)12-20(17)19-11-24(32-6-8-36-9-7-32)25-30-18(2)13-33(25)14-19/h10-16H,6-9H2,1-5H3,(H,31,35)
InChIKeyWLCBFEVUBACZEG-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.80
Rot. Bonds4

About 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide

1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide (PubChem CID 169077805) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide
PubChem CID169077805
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC Name1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide
SMILESCc1cn2cc(-c3cc(NC(=O)c4cn(C(C)(C)C)cn4)c(F)cc3C)cc(N3CCOCC3)c2n1
InChIInChI=1S/C27H31FN6O2/c1-17-10-21(28)22(31-26(35)23-15-34(16-29-23)27(3,4)5)12-20(17)19-11-24(32-6-8-36-9-7-32)25-30-18(2)13-33(25)14-19/h10-16H,6-9H2,1-5H3,(H,31,35)
InChIKeyWLCBFEVUBACZEG-UHFFFAOYSA-N
XLogP4.80
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide (CID 169077805) is 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide is Cc1cn2cc(-c3cc(NC(=O)c4cn(C(C)(C)C)cn4)c(F)cc3C)cc(N3CCOCC3)c2n1.
What is the InChIKey of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide?
The InChIKey is WLCBFEVUBACZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c1-17-10-21(28)22(31-26(35)23-15-34(16-29-23)27(3,4)5)12-20(17)19-11-24(32-6-8-36-9-7-32)25-30-18(2)13-33(25)14-19/h10-16H,6-9H2,1-5H3,(H,31,35).
What are the key properties of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide?
1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 169077805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).