5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

C38H37N11O3 — CID 158332737

IUPAC5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCC(C)CNc1n[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12.c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(OC3CCCCC3)n2)c1
InChIInChI=1S/C20H19N5O2.C18H18N6O/c1-2-5-14(6-3-1)27-20-21-9-8-16(23-20)15-11-13-12-22-25-19(13)24-18(15)17-7-4-10-26-17;1-11(2)9-20-17-13-8-12(14-5-6-19-10-21-14)16(15-4-3-7-25-15)22-18(13)24-23-17/h4,7-12,14H,1-3,5-6H2,(H,22,24,25);3-8,10-11H,9H2,1-2H3,(H2,20,22,23,24)
InChIKeyGQEZBOMDRCGOPU-UHFFFAOYSA-N
MW695.79 g/mol
LogP8.13
Rot. Bonds9

About 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 158332737) has the molecular formula C38H37N11O3 and a molecular weight of 695.79 g/mol. Its IUPAC name is 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID158332737
Molecular FormulaC38H37N11O3
Molecular Weight695.79 g/mol
Exact Mass695.31
IUPAC Name5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCC(C)CNc1n[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12.c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(OC3CCCCC3)n2)c1
InChIInChI=1S/C20H19N5O2.C18H18N6O/c1-2-5-14(6-3-1)27-20-21-9-8-16(23-20)15-11-13-12-22-25-19(13)24-18(15)17-7-4-10-26-17;1-11(2)9-20-17-13-8-12(14-5-6-19-10-21-14)16(15-4-3-7-25-15)22-18(13)24-23-17/h4,7-12,14H,1-3,5-6H2,(H,22,24,25);3-8,10-11H,9H2,1-2H3,(H2,20,22,23,24)
InChIKeyGQEZBOMDRCGOPU-UHFFFAOYSA-N
XLogP8.13
TPSA182.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500695.79
LogP ≤ 58.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
4-(Furan-2-yl)-10-[2-[4-(6-methyl-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568316
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9976396
10-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10150788
4-(furan-2-yl)-10-[2-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10174142
4-(furan-2-yl)-10-[2-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10287779

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 158332737) is 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine is CC(C)CNc1n[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12.c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(OC3CCCCC3)n2)c1.
What is the InChIKey of 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GQEZBOMDRCGOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.C18H18N6O/c1-2-5-14(6-3-1)27-20-21-9-8-16(23-20)15-11-13-12-22-25-19(13)24-18(15)17-7-4-10-26-17;1-11(2)9-20-17-13-8-12(14-5-6-19-10-21-14)16(15-4-3-7-25-15)22-18(13)24-23-17/h4,7-12,14H,1-3,5-6H2,(H,22,24,25);3-8,10-11H,9H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 695.79 g/mol, XLogP of 8.13, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxypyrimidin-4-yl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine;6-(furan-2-yl)-N-(2-methylpropyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 158332737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).