cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol

C21H22N6O4 — CID 178061845

IUPACcis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol
SMILESCOc1cccnc1-c1cc(Nc2cc(O[C@@H]3CCC[C@@H]3O)c3cnn(C)c3n2)on1
InChIInChI=1S/C21H22N6O4/c1-27-21-12(11-23-27)17(30-15-6-3-5-14(15)28)10-18(25-21)24-19-9-13(26-31-19)20-16(29-2)7-4-8-22-20/h4,7-11,14-15,28H,3,5-6H2,1-2H3,(H,24,25)/t14-,15+/m0/s1
InChIKeyUGGDYZBNCMEJRU-LSDHHAIUSA-N
MW422.45 g/mol
LogP3.06
Rot. Bonds6

About cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol

cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol (PubChem CID 178061845) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol
PubChem CID178061845
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Namecis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol
SMILESCOc1cccnc1-c1cc(Nc2cc(O[C@@H]3CCC[C@@H]3O)c3cnn(C)c3n2)on1
InChIInChI=1S/C21H22N6O4/c1-27-21-12(11-23-27)17(30-15-6-3-5-14(15)28)10-18(25-21)24-19-9-13(26-31-19)20-16(29-2)7-4-8-22-20/h4,7-11,14-15,28H,3,5-6H2,1-2H3,(H,24,25)/t14-,15+/m0/s1
InChIKeyUGGDYZBNCMEJRU-LSDHHAIUSA-N
XLogP3.06
TPSA120.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol with MolForge

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Related Compounds

N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 178061796
(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol
CID 178061654
4-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061503
4-methoxy-1-methyl-N-[1-methyl-3-(4-methylpyrimidin-2-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061700
4-methoxy-1-methyl-N-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061656
N-[3-(3,5-dimethylphenyl)-1-methylpyrazol-5-yl]-4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061666
3-methoxy-2-(2-methylpyrazol-3-yl)pyridine
CID 173069965
4-methoxy-1-methyl-N-[1-methyl-3-[6-(methylamino)-2-pyridinyl]pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061687
(5R)-5-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-3-ol
CID 178061560
[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134788228
4-N-cyclopentyl-1-methyl-6-N-[1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061684
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63056436

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol (CID 178061845) is cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol is COc1cccnc1-c1cc(Nc2cc(O[C@@H]3CCC[C@@H]3O)c3cnn(C)c3n2)on1.
What is the InChIKey of cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol?
The InChIKey is UGGDYZBNCMEJRU-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-27-21-12(11-23-27)17(30-15-6-3-5-14(15)28)10-18(25-21)24-19-9-13(26-31-19)20-16(29-2)7-4-8-22-20/h4,7-11,14-15,28H,3,5-6H2,1-2H3,(H,24,25)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol?
cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol has a molecular weight of 422.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol is sourced from PubChem (CID 178061845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).