4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine

C28H41N7O — CID 134330532

IUPAC4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine
SMILESCOCC(C)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2
InChIInChI=1S/C28H41N7O/c1-19-14-25(22-15-29-33(4)26(22)30-19)34-13-6-24-23(16-34)21(3)32-35(24)18-27-7-10-28(11-8-27,12-9-27)31-20(2)17-36-5/h14-15,20,31H,6-13,16-18H2,1-5H3
InChIKeyBROBFARKXSNHAN-UHFFFAOYSA-N
MW491.68 g/mol
LogP4.06
Rot. Bonds7

About 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine

4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine (PubChem CID 134330532) has the molecular formula C28H41N7O and a molecular weight of 491.68 g/mol. Its IUPAC name is 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine
PubChem CID134330532
Molecular FormulaC28H41N7O
Molecular Weight491.68 g/mol
Exact Mass491.34
IUPAC Name4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine
SMILESCOCC(C)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2
InChIInChI=1S/C28H41N7O/c1-19-14-25(22-15-29-33(4)26(22)30-19)34-13-6-24-23(16-34)21(3)32-35(24)18-27-7-10-28(11-8-27,12-9-27)31-20(2)17-36-5/h14-15,20,31H,6-13,16-18H2,1-5H3
InChIKeyBROBFARKXSNHAN-UHFFFAOYSA-N
XLogP4.06
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-methylbutanamide
CID 153072411
N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-3-(methylamino)propanamide
CID 138734618
6-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-oxa-6-azaspiro[3.3]heptane
CID 134330536
(3S)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]oxane-3-carboxamide
CID 158475464
1-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-2-one
CID 142301160
(3S)-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-3-hydroxymorpholine-3-carboxamide
CID 156573841
1,6-dimethyl-4-[3-methyl-1-[(4-piperidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyrazolo[5,4-d]pyrimidine
CID 138734556
N-[5-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]-2-(3-fluorocyclobutyl)acetamide
CID 139311143
1,1-bis(bromomethyl)cyclobutane;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;7-chloro-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine;bis(6-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-oxa-6-azaspiro[3.3]heptane);bis(4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine)
CID 158940077
(2R)-N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-(methylamino)but-3-ynamide
CID 166853724
3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine
CID 134342150
2-[[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]amino]-1-piperidin-1-ylethanone
CID 134342251

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine (CID 134330532) is 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine is COCC(C)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2.
What is the InChIKey of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine?
The InChIKey is BROBFARKXSNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N7O/c1-19-14-25(22-15-29-33(4)26(22)30-19)34-13-6-24-23(16-34)21(3)32-35(24)18-27-7-10-28(11-8-27,12-9-27)31-20(2)17-36-5/h14-15,20,31H,6-13,16-18H2,1-5H3.
What are the key properties of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine?
4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine has a molecular weight of 491.68 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(1-methoxypropan-2-yl)bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 134330532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).