N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

C21H28N8O2 — CID 178015809

IUPACN,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCN(C)c1nn(-c2ccn[nH]2)c2nc(N3CCOCC3)cc(N3CC4CCC(C3)O4)c12
InChIInChI=1S/C21H28N8O2/c1-26(2)21-19-16(28-12-14-3-4-15(13-28)31-14)11-18(27-7-9-30-10-8-27)23-20(19)29(25-21)17-5-6-22-24-17/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,22,24)
InChIKeyCWKFNRHJWOZSPA-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.41
Rot. Bonds4

About N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 178015809) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
PubChem CID178015809
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC NameN,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCN(C)c1nn(-c2ccn[nH]2)c2nc(N3CCOCC3)cc(N3CC4CCC(C3)O4)c12
InChIInChI=1S/C21H28N8O2/c1-26(2)21-19-16(28-12-14-3-4-15(13-28)31-14)11-18(27-7-9-30-10-8-27)23-20(19)29(25-21)17-5-6-22-24-17/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,22,24)
InChIKeyCWKFNRHJWOZSPA-UHFFFAOYSA-N
XLogP1.41
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine with MolForge

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Related Compounds

N-methyl-6-(3-methylmorpholin-4-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015789
4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015942
3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 167442741
4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 155585704
4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 156754152
6-[(3R)-3-methylmorpholin-4-yl]-4-(3-oxaspiro[5.5]undecan-9-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066154
ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
CID 177242887
5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 134446608
4-(1H-pyrazol-5-yl)-1,4-oxazepane
CID 126655328
4-[4-(3-methylpiperidin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869455
(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
CID 118869266
cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 155585703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (CID 178015809) is N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is CN(C)c1nn(-c2ccn[nH]2)c2nc(N3CCOCC3)cc(N3CC4CCC(C3)O4)c12.
What is the InChIKey of N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is CWKFNRHJWOZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-26(2)21-19-16(28-12-14-3-4-15(13-28)31-14)11-18(27-7-9-30-10-8-27)23-20(19)29(25-21)17-5-6-22-24-17/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 424.51 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 178015809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).