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

C18H18F3N7O4 — CID 171556983

IUPACN-[[(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
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C18H18F3N7O4/c19-18(20,21)12-4-22-5-13(28-12)26-10-6-32-11(15(30)14(10)29)3-23-17(31)9-2-1-8-16(27-9)25-7-24-8/h1-2,4-5,7,10-11,14-15,29-30H,3,6H2,(H,23,31)(H,26,28)(H,24,25,27)/t10-,11+,14+,15-/m0/s1
InChIKeyXMDPODLILYLTME-DRABBMOASA-N
MW453.38 g/mol
LogP0.10
Rot. Bonds5

About 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

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 (PubChem CID 171556983) has the molecular formula C18H18F3N7O4 and a molecular weight of 453.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID171556983
Molecular FormulaC18H18F3N7O4
Molecular Weight453.38 g/mol
Exact Mass453.14
IUPAC NameN-[[(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
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C18H18F3N7O4/c19-18(20,21)12-4-22-5-13(28-12)26-10-6-32-11(15(30)14(10)29)3-23-17(31)9-2-1-8-16(27-9)25-7-24-8/h1-2,4-5,7,10-11,14-15,29-30H,3,6H2,(H,23,31)(H,26,28)(H,24,25,27)/t10-,11+,14+,15-/m0/s1
InChIKeyXMDPODLILYLTME-DRABBMOASA-N
XLogP0.10
TPSA158.17 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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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-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023413
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
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-[[(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
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
CID 171557427

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ccc2[nH]cnc2n1.
What is the InChIKey of 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?
The InChIKey is XMDPODLILYLTME-DRABBMOASA-N. The full InChI is InChI=1S/C18H18F3N7O4/c19-18(20,21)12-4-22-5-13(28-12)26-10-6-32-11(15(30)14(10)29)3-23-17(31)9-2-1-8-16(27-9)25-7-24-8/h1-2,4-5,7,10-11,14-15,29-30H,3,6H2,(H,23,31)(H,26,28)(H,24,25,27)/t10-,11+,14+,15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 453.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171556983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).