6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine

C47H59N17O2 — CID 145062167

IUPAC6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nn(C)c2cc(-c3cc(NC4CCC(n5ncc(Cc6nn(C)c7cc(-c8cc(NC9CCC(C)CC9)nc(N9CCOCC9)n8)ncc67)n5)CC4)nc(N4CCOCC4)n3)cnc12
InChIInChI=1S/C47H59N17O2/c1-29-5-7-32(8-6-29)51-44-25-40(54-47(56-44)63-15-19-66-20-16-63)39-23-41-36(28-48-39)38(59-60(41)3)22-34-27-50-64(58-34)35-11-9-33(10-12-35)52-43-24-37(53-46(55-43)62-13-17-65-18-14-62)31-21-42-45(49-26-31)30(2)57-61(42)4/h21,23-29,32-33,35H,5-20,22H2,1-4H3,(H,51,54,56)(H,52,53,55)
InChIKeyBYFFMGUGWYJIOZ-UHFFFAOYSA-N
MW894.11 g/mol
LogP5.91
Rot. Bonds11

About 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine

6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 145062167) has the molecular formula C47H59N17O2 and a molecular weight of 894.11 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID145062167
Molecular FormulaC47H59N17O2
Molecular Weight894.11 g/mol
Exact Mass893.50
IUPAC Name6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nn(C)c2cc(-c3cc(NC4CCC(n5ncc(Cc6nn(C)c7cc(-c8cc(NC9CCC(C)CC9)nc(N9CCOCC9)n8)ncc67)n5)CC4)nc(N4CCOCC4)n3)cnc12
InChIInChI=1S/C47H59N17O2/c1-29-5-7-32(8-6-29)51-44-25-40(54-47(56-44)63-15-19-66-20-16-63)39-23-41-36(28-48-39)38(59-60(41)3)22-34-27-50-64(58-34)35-11-9-33(10-12-35)52-43-24-37(53-46(55-43)62-13-17-65-18-14-62)31-21-42-45(49-26-31)30(2)57-61(42)4/h21,23-29,32-33,35H,5-20,22H2,1-4H3,(H,51,54,56)(H,52,53,55)
InChIKeyBYFFMGUGWYJIOZ-UHFFFAOYSA-N
XLogP5.91
TPSA192.69 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.11
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Vabametkib
CID 73504719
3-(2-benzyl-1H-benzo[d]imidazol-6-yl)-1-((trans)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218685
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
US9266891, III-19
CID 90161075
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-pyridin-3-ylurea
CID 25195682
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-4-yl-urea
CID 44188842
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-3-yl-urea
CID 44188843
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1H-imidazol-2-yl)urea
CID 44604824

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 145062167) is 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1nn(C)c2cc(-c3cc(NC4CCC(n5ncc(Cc6nn(C)c7cc(-c8cc(NC9CCC(C)CC9)nc(N9CCOCC9)n8)ncc67)n5)CC4)nc(N4CCOCC4)n3)cnc12.
What is the InChIKey of 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is BYFFMGUGWYJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H59N17O2/c1-29-5-7-32(8-6-29)51-44-25-40(54-47(56-44)63-15-19-66-20-16-63)39-23-41-36(28-48-39)38(59-60(41)3)22-34-27-50-64(58-34)35-11-9-33(10-12-35)52-43-24-37(53-46(55-43)62-13-17-65-18-14-62)31-21-42-45(49-26-31)30(2)57-61(42)4/h21,23-29,32-33,35H,5-20,22H2,1-4H3,(H,51,54,56)(H,52,53,55).
What are the key properties of 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 894.11 g/mol, XLogP of 5.91, 11 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-[4-[[1-methyl-6-[6-[(4-methylcyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]methyl]triazol-2-yl]cyclohexyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 145062167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).