5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C21H20N8O2 — CID 168953496

IUPAC5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3c(O[C@H]4C[C@H](N)[C@H]5C[C@H]54)cnc4c3OCC4)[nH]n2)cn1
InChIInChI=1S/C21H20N8O2/c22-6-10-7-26-19(9-24-10)27-18-5-15(28-29-18)20-17(8-25-14-1-2-30-21(14)20)31-16-4-13(23)11-3-12(11)16/h5,7-9,11-13,16H,1-4,23H2,(H2,26,27,28,29)/t11-,12+,13-,16-/m0/s1
InChIKeyZKFZVIVTDJZNCZ-ZWUHOBOKSA-N
MW416.45 g/mol
LogP1.93
Rot. Bonds5

About 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 168953496) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID168953496
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3c(O[C@H]4C[C@H](N)[C@H]5C[C@H]54)cnc4c3OCC4)[nH]n2)cn1
InChIInChI=1S/C21H20N8O2/c22-6-10-7-26-19(9-24-10)27-18-5-15(28-29-18)20-17(8-25-14-1-2-30-21(14)20)31-16-4-13(23)11-3-12(11)16/h5,7-9,11-13,16H,1-4,23H2,(H2,26,27,28,29)/t11-,12+,13-,16-/m0/s1
InChIKeyZKFZVIVTDJZNCZ-ZWUHOBOKSA-N
XLogP1.93
TPSA147.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 174279678
5-[[5-[5-[(1R,2R)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 174279683
5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653717
5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653656
5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 163407467
5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxy-4-methylphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170070430
5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335278
5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147935
5-[[5-[6-(3-aminocyclobutyl)oxy-3-fluoro-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335230
5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147969
5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147987
5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147771

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 168953496) is 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3c(O[C@H]4C[C@H](N)[C@H]5C[C@H]54)cnc4c3OCC4)[nH]n2)cn1.
What is the InChIKey of 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is ZKFZVIVTDJZNCZ-ZWUHOBOKSA-N. The full InChI is InChI=1S/C21H20N8O2/c22-6-10-7-26-19(9-24-10)27-18-5-15(28-29-18)20-17(8-25-14-1-2-30-21(14)20)31-16-4-13(23)11-3-12(11)16/h5,7-9,11-13,16H,1-4,23H2,(H2,26,27,28,29)/t11-,12+,13-,16-/m0/s1.
What are the key properties of 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 416.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[6-[[(1R,2S,4S,5S)-4-amino-2-bicyclo[3.1.0]hexanyl]oxy]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 168953496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).