6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C90H116N20O9S3 — CID 161435653

IUPAC6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.Cc1ccc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CCCCN4)cc3OC(C)C)nc3[nH]ncc23)c1.Cc1ccc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CCCNC4)cc3OC(C)C)nc3[nH]ncc23)c1
InChIInChI=1S/2C30H39N7O3S.C30H38N6O3S/c1-17(2)40-26-14-22(21-8-7-11-31-15-21)20(6)13-24(26)34-30-35-28(23-16-32-37-29(23)36-30)33-25-12-19(5)9-10-27(25)41(38,39)18(3)4;1-17(2)40-26-15-21(23-9-7-8-12-31-23)20(6)14-24(26)34-30-35-28(22-16-32-37-29(22)36-30)33-25-13-19(5)10-11-27(25)41(38,39)18(3)4;1-19(2)39-26-18-22(21-13-16-36(5)17-14-21)10-11-24(26)33-30-34-28-23(12-15-31-28)29(35-30)32-25-8-6-7-9-27(25)40(37,38)20(3)4/h9-10,12-14,16-18,21,31H,7-8,11,15H2,1-6H3,(H3,32,33,34,35,36,37);10-11,13-18,23,31H,7-9,12H2,1-6H3,(H3,32,33,34,35,36,37);6-12,15,18-21H,13-14,16-17H2,1-5H3,(H3,31,32,33,34,35)
InChIKeyVYPMBFQRVHRVPT-UHFFFAOYSA-N
MW1718.25 g/mol
LogP18.36
Rot. Bonds27

About 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 161435653) has the molecular formula C90H116N20O9S3 and a molecular weight of 1718.25 g/mol. Its IUPAC name is 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID161435653
Molecular FormulaC90H116N20O9S3
Molecular Weight1718.25 g/mol
Exact Mass1716.84
IUPAC Name6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.Cc1ccc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CCCCN4)cc3OC(C)C)nc3[nH]ncc23)c1.Cc1ccc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CCCNC4)cc3OC(C)C)nc3[nH]ncc23)c1
InChIInChI=1S/2C30H39N7O3S.C30H38N6O3S/c1-17(2)40-26-14-22(21-8-7-11-31-15-21)20(6)13-24(26)34-30-35-28(23-16-32-37-29(23)36-30)33-25-12-19(5)9-10-27(25)41(38,39)18(3)4;1-17(2)40-26-15-21(23-9-7-8-12-31-23)20(6)14-24(26)34-30-35-28(22-16-32-37-29(22)36-30)33-25-13-19(5)10-11-27(25)41(38,39)18(3)4;1-19(2)39-26-18-22(21-13-16-36(5)17-14-21)10-11-24(26)33-30-34-28-23(12-15-31-28)29(35-30)32-25-8-6-7-9-27(25)40(37,38)20(3)4/h9-10,12-14,16-18,21,31H,7-8,11,15H2,1-6H3,(H3,32,33,34,35,36,37);10-11,13-18,23,31H,7-9,12H2,1-6H3,(H3,32,33,34,35,36,37);6-12,15,18-21H,13-14,16-17H2,1-5H3,(H3,31,32,33,34,35)
InChIKeyVYPMBFQRVHRVPT-UHFFFAOYSA-N
XLogP18.36
TPSA380.08 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.25
LogP ≤ 518.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N~6~-[5-Methyl-4-(1-Methylpiperidin-4-Yl)-2-(Propan-2-Yloxy)phenyl]-N~4~-[2-(Propan-2-Ylsulfonyl)phenyl]-2h-Pyrazolo[3,4-D]pyrimidine-4,6-Diamine
CID 25160544
N6-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 25160548
N6-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44467826
N6-(2-isopropoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44467827
N6-(2-isopropoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
CID 44467963
2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58374562
4-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-6-N-(2-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 162644828
2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 162663451
6-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 25254425
2-imidazol-1-yl-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]ethanone
CID 44467029
3-methyl-6-N-[5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44467109
6-N-[4-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44467179

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 161435653) is 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.Cc1ccc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CCCCN4)cc3OC(C)C)nc3[nH]ncc23)c1.Cc1ccc(S(=O)(=O)C(C)C)c(Nc2nc(Nc3cc(C)c(C4CCCNC4)cc3OC(C)C)nc3[nH]ncc23)c1.
What is the InChIKey of 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VYPMBFQRVHRVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H39N7O3S.C30H38N6O3S/c1-17(2)40-26-14-22(21-8-7-11-31-15-21)20(6)13-24(26)34-30-35-28(23-16-32-37-29(23)36-30)33-25-12-19(5)9-10-27(25)41(38,39)18(3)4;1-17(2)40-26-15-21(23-9-7-8-12-31-23)20(6)14-24(26)34-30-35-28(22-16-32-37-29(22)36-30)33-25-13-19(5)10-11-27(25)41(38,39)18(3)4;1-19(2)39-26-18-22(21-13-16-36(5)17-14-21)10-11-24(26)33-30-34-28-23(12-15-31-28)29(35-30)32-25-8-6-7-9-27(25)40(37,38)20(3)4/h9-10,12-14,16-18,21,31H,7-8,11,15H2,1-6H3,(H3,32,33,34,35,36,37);10-11,13-18,23,31H,7-9,12H2,1-6H3,(H3,32,33,34,35,36,37);6-12,15,18-21H,13-14,16-17H2,1-5H3,(H3,31,32,33,34,35).
What are the key properties of 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 1718.25 g/mol, XLogP of 18.36, 27 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;6-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(5-methyl-2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine;2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161435653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).