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

C26H29FN6O2 — CID 169077530

IUPAC1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cn(C(C)(C)C)cn2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H29FN6O2/c1-17-11-20(27)21(30-25(34)22-15-33(16-29-22)26(2,3)4)13-19(17)18-12-23(31-7-9-35-10-8-31)24-28-5-6-32(24)14-18/h5-6,11-16H,7-10H2,1-4H3,(H,30,34)
InChIKeyHROCZYIUXLDPKA-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.49
Rot. Bonds4

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

1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide (PubChem CID 169077530) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-fluoro-4-methyl-5-(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-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide
PubChem CID169077530
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cn(C(C)(C)C)cn2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H29FN6O2/c1-17-11-20(27)21(30-25(34)22-15-33(16-29-22)26(2,3)4)13-19(17)18-12-23(31-7-9-35-10-8-31)24-28-5-6-32(24)14-18/h5-6,11-16H,7-10H2,1-4H3,(H,30,34)
InChIKeyHROCZYIUXLDPKA-UHFFFAOYSA-N
XLogP4.49
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Gsk-3494245
CID 126571915
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
Psb-KD107
CID 44437220
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
N-(6-fluoro-2-pyridinyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 67140847
N-phenyl-6-(pyrid-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68779277
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
US10513523, Example 8
CID 122656020
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439457

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(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-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide (CID 169077530) is 1-tert-butyl-N-[2-fluoro-4-methyl-5-(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-(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-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide is Cc1cc(F)c(NC(=O)c2cn(C(C)(C)C)cn2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide?
The InChIKey is HROCZYIUXLDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-17-11-20(27)21(30-25(34)22-15-33(16-29-22)26(2,3)4)13-19(17)18-12-23(31-7-9-35-10-8-31)24-28-5-6-32(24)14-18/h5-6,11-16H,7-10H2,1-4H3,(H,30,34).
What are the key properties of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide?
1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.49, 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-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 169077530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).