(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol

C72H76N20O8 — CID 165037706

IUPAC(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESNc1cc(N[C@@H]2C[C@@H]3O[C@H]2C[C@H]3O)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2C[C@H]3C[C@H](O)[C@@H]2O3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2C[C@@H]3C[C@@H](O)[C@H]2O3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2C[C@H]3O[C@@H]2C[C@@H]3O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/4C18H19N5O2/c2*19-17-8-14(21-15-6-10-7-16(24)18(15)25-10)11-2-1-9(5-13(11)22-17)12-3-4-20-23-12;2*19-18-7-13(21-14-6-17-15(24)8-16(14)25-17)10-2-1-9(5-12(10)22-18)11-3-4-20-23-11/h2*1-5,8,10,15-16,18,24H,6-7H2,(H,20,23)(H3,19,21,22);2*1-5,7,14-17,24H,6,8H2,(H,20,23)(H3,19,21,22)/t2*10-,15+,16-,18+;2*14-,15-,16+,17+/m1010/s1
InChIKeyNQINLYXOWKUKJD-MMEIMUSJSA-N
MW1349.53 g/mol
LogP7.64
Rot. Bonds12

About (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol

(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol (PubChem CID 165037706) has the molecular formula C72H76N20O8 and a molecular weight of 1349.53 g/mol. Its IUPAC name is (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
PubChem CID165037706
Molecular FormulaC72H76N20O8
Molecular Weight1349.53 g/mol
Exact Mass1348.62
IUPAC Name(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESNc1cc(N[C@@H]2C[C@@H]3O[C@H]2C[C@H]3O)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2C[C@H]3C[C@H](O)[C@@H]2O3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2C[C@@H]3C[C@@H](O)[C@H]2O3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2C[C@H]3O[C@@H]2C[C@@H]3O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/4C18H19N5O2/c2*19-17-8-14(21-15-6-10-7-16(24)18(15)25-10)11-2-1-9(5-13(11)22-17)12-3-4-20-23-12;2*19-18-7-13(21-14-6-17-15(24)8-16(14)25-17)10-2-1-9(5-12(10)22-18)11-3-4-20-23-11/h2*1-5,8,10,15-16,18,24H,6-7H2,(H,20,23)(H3,19,21,22);2*1-5,7,14-17,24H,6,8H2,(H,20,23)(H3,19,21,22)/t2*10-,15+,16-,18+;2*14-,15-,16+,17+/m1010/s1
InChIKeyNQINLYXOWKUKJD-MMEIMUSJSA-N
XLogP7.64
TPSA436.32 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001349.53
LogP ≤ 57.64
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 156785291
(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 156785293
(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 156785296
(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 156785298
(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 157020742
(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 157020744
bis(1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol);2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 157128545
(2S)-2-[[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]methyl]-3-trityloxypropan-1-ol;2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]propane-1,3-diol;(2R)-2-methoxy-3-trityloxypropan-1-ol;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 157153678
bis(1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol);1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol;1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 161617039
(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 164708164
(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 165005093
4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
CID 165037689

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol (CID 165037706) is (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol is Nc1cc(N[C@@H]2C[C@@H]3O[C@H]2C[C@H]3O)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2C[C@H]3C[C@H](O)[C@@H]2O3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2C[C@@H]3C[C@@H](O)[C@H]2O3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2C[C@H]3O[C@@H]2C[C@@H]3O)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol?
The InChIKey is NQINLYXOWKUKJD-MMEIMUSJSA-N. The full InChI is InChI=1S/4C18H19N5O2/c2*19-17-8-14(21-15-6-10-7-16(24)18(15)25-10)11-2-1-9(5-13(11)22-17)12-3-4-20-23-12;2*19-18-7-13(21-14-6-17-15(24)8-16(14)25-17)10-2-1-9(5-12(10)22-18)11-3-4-20-23-11/h2*1-5,8,10,15-16,18,24H,6-7H2,(H,20,23)(H3,19,21,22);2*1-5,7,14-17,24H,6,8H2,(H,20,23)(H3,19,21,22)/t2*10-,15+,16-,18+;2*14-,15-,16+,17+/m1010/s1.
What are the key properties of (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol?
(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol has a molecular weight of 1349.53 g/mol, XLogP of 7.64, 12 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 165037706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).