N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C18H20F3N7O4 — CID 171557950

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C13H16N4O4.C5H4F3N3/c18-9-3-4-21-10(11(9)19)5-14-13(20)8-2-1-7-12(17-8)16-6-15-7;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,6,9-11,18-19H,3-5H2,(H,14,20)(H,15,16,17);1-2H,(H2,9,11)
InChIKeyBFGYXTKTGQXSRQ-UHFFFAOYSA-N
MW455.40 g/mol
LogP0.28
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557950) has the molecular formula C18H20F3N7O4 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557950
Molecular FormulaC18H20F3N7O4
Molecular Weight455.40 g/mol
Exact Mass455.15
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C13H16N4O4.C5H4F3N3/c18-9-3-4-21-10(11(9)19)5-14-13(20)8-2-1-7-12(17-8)16-6-15-7;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,6,9-11,18-19H,3-5H2,(H,14,20)(H,15,16,17);1-2H,(H2,9,11)
InChIKeyBFGYXTKTGQXSRQ-UHFFFAOYSA-N
XLogP0.28
TPSA172.16 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 50.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(6-morpholin-4-yl-7H-purin-2-yl)amino]pyridine-2-carboxamide
CID 145954734
N-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]propyl]pyridine-2-carboxamide
CID 110154058
3-(4-hydroxypiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-1-ium-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023819
4-[2-(3,4-difluorophenyl)ethyl]-N-(3-hydroxyoxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 146237389
CID 160951221
CID 160951221
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
CID 171556801
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 171556983
N-[[(2S,3S,4S,5S)-4-(2-hydroxypropan-2-yloxy)-3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 171557036
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
CID 171557062
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557069
N-[(3,4-dihydroxyoxan-2-yl)methyl]-4-fluoropyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557376
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557388

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171557950) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ccc2[nH]cnc2n1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is BFGYXTKTGQXSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4.C5H4F3N3/c18-9-3-4-21-10(11(9)19)5-14-13(20)8-2-1-7-12(17-8)16-6-15-7;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,6,9-11,18-19H,3-5H2,(H,14,20)(H,15,16,17);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 455.40 g/mol, XLogP of 0.28, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).