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

C18H20F3N7O4 — CID 171557624

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1cnc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O4.C5H4F3N3/c18-9-1-2-21-10(11(9)19)5-15-13(20)7-3-8-12(14-4-7)17-6-16-8;6-5(7,8)3-1-10-2-4(9)11-3/h3-4,6,9-11,18-19H,1-2,5H2,(H,15,20)(H,14,16,17);1-2H,(H2,9,11)
InChIKeyHXKZPILJYMGEAF-UHFFFAOYSA-N
MW455.40 g/mol
LogP0.28
Rot. Bonds3

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

N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557624) 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-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557624
Molecular FormulaC18H20F3N7O4
Molecular Weight455.40 g/mol
Exact Mass455.15
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1cnc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O4.C5H4F3N3/c18-9-1-2-21-10(11(9)19)5-15-13(20)7-3-8-12(14-4-7)17-6-16-8;6-5(7,8)3-1-10-2-4(9)11-3/h3-4,6,9-11,18-19H,1-2,5H2,(H,15,20)(H,14,16,17);1-2H,(H2,9,11)
InChIKeyHXKZPILJYMGEAF-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

CID 5288979
CID 5288979
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methylpyridin-2-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295272
N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73296111
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyridine-3-carboxamide
CID 90155249
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[2-(2-hydroxyethylamino)purin-9-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206025
6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206755
US10081629, Example 46
CID 126558147
US10336761, Example 174
CID 135262428
N-[8-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 136331820
4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(2S)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156163075
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-fluoropyridine-3-carbonyl)sulfamate
CID 25047682
morpholin-4-yl-[6-[[2-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-3-pyridinyl]methanone
CID 145969814

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171557624) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-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-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1cnc2nc[nH]c2c1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is HXKZPILJYMGEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4.C5H4F3N3/c18-9-1-2-21-10(11(9)19)5-15-13(20)7-3-8-12(14-4-7)17-6-16-8;6-5(7,8)3-1-10-2-4(9)11-3/h3-4,6,9-11,18-19H,1-2,5H2,(H,15,20)(H,14,16,17);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-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-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).