N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C41H34N16O2 — CID 145388035

IUPACN-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3[nH]ncc3C)c12.COc1ccc(-c2ncccn2)cc1Nc1ncnc2n[nH]c(-c3ccn[nH]3)c12
InChIInChI=1S/C22H19N7O.C19H15N9O/c1-13-11-25-27-19(13)20-18-21(23-12-24-22(18)29-28-20)26-16-10-15(8-9-17(16)30-2)14-6-4-3-5-7-14;1-29-14-4-3-11(17-20-6-2-7-21-17)9-13(14)25-18-15-16(12-5-8-24-26-12)27-28-19(15)23-10-22-18/h3-12H,1-2H3,(H,25,27)(H2,23,24,26,28,29);2-10H,1H3,(H,24,26)(H2,22,23,25,27,28)
InChIKeyDNFOAXGHYIBDMP-UHFFFAOYSA-N
MW782.83 g/mol
LogP7.42
Rot. Bonds10

About N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 145388035) has the molecular formula C41H34N16O2 and a molecular weight of 782.83 g/mol. Its IUPAC name is N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID145388035
Molecular FormulaC41H34N16O2
Molecular Weight782.83 g/mol
Exact Mass782.31
IUPAC NameN-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3[nH]ncc3C)c12.COc1ccc(-c2ncccn2)cc1Nc1ncnc2n[nH]c(-c3ccn[nH]3)c12
InChIInChI=1S/C22H19N7O.C19H15N9O/c1-13-11-25-27-19(13)20-18-21(23-12-24-22(18)29-28-20)26-16-10-15(8-9-17(16)30-2)14-6-4-3-5-7-14;1-29-14-4-3-11(17-20-6-2-7-21-17)9-13(14)25-18-15-16(12-5-8-24-26-12)27-28-19(15)23-10-22-18/h3-12H,1-2H3,(H,25,27)(H2,23,24,26,28,29);2-10H,1H3,(H,24,26)(H2,22,23,25,27,28)
InChIKeyDNFOAXGHYIBDMP-UHFFFAOYSA-N
XLogP7.42
TPSA234.58 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500782.83
LogP ≤ 57.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879451
3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137042194
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
US10544143, Example 107
CID 138686226
US10544143, Example 190
CID 138686244
US10544143, Example 115
CID 138686483
US10544143, Example 174
CID 138686640
US10544143, Example 208
CID 138686959
US10544143, Example 332
CID 138686974
US10544143, Example 110
CID 138687119
1-[2-[4-(Dimethylamino)piperidin-1-yl]ethyl]-3-[3-methoxy-4-(pyridin-3-ylmethylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 127049791
6-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168863446

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 145388035) is N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3[nH]ncc3C)c12.COc1ccc(-c2ncccn2)cc1Nc1ncnc2n[nH]c(-c3ccn[nH]3)c12.
What is the InChIKey of N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DNFOAXGHYIBDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O.C19H15N9O/c1-13-11-25-27-19(13)20-18-21(23-12-24-22(18)29-28-20)26-16-10-15(8-9-17(16)30-2)14-6-4-3-5-7-14;1-29-14-4-3-11(17-20-6-2-7-21-17)9-13(14)25-18-15-16(12-5-8-24-26-12)27-28-19(15)23-10-22-18/h3-12H,1-2H3,(H,25,27)(H2,23,24,26,28,29);2-10H,1H3,(H,24,26)(H2,22,23,25,27,28).
What are the key properties of N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 782.83 g/mol, XLogP of 7.42, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenylphenyl)-3-(4-methyl-1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-pyrimidin-2-ylphenyl)-3-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 145388035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).