methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine

C60H74N20O9S2 — CID 157228605

IUPACmethyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNC(=O)Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)s1.COC(=O)Cc1ccc(-c2nc(N3CCOC[C@H]3C)nc3c2cnn3C2CCOCC2)cc1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)s1
InChIInChI=1S/C24H29N5O4.C19H24N8O3S.C17H21N7O2S/c1-16-15-33-12-9-28(16)24-26-22(18-5-3-17(4-6-18)13-21(30)31-2)20-14-25-29(23(20)27-24)19-7-10-32-11-8-19;1-20-18(28)25-19-21-11-14(31-19)15-13-10-22-27(12-2-6-29-7-3-12)16(13)24-17(23-15)26-4-8-30-9-5-26;18-16-19-10-13(27-16)14-12-9-20-24(11-1-5-25-6-2-11)15(12)22-17(21-14)23-3-7-26-8-4-23/h3-6,14,16,19H,7-13,15H2,1-2H3;10-12H,2-9H2,1H3,(H2,20,21,25,28);9-11H,1-8H2,(H2,18,19)/t16-;;/m1../s1
InChIKeyATVPNVXUPDZXDB-GGMCWBHBSA-N
MW1283.52 g/mol
LogP6.39
Rot. Bonds12

About methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine

methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 157228605) has the molecular formula C60H74N20O9S2 and a molecular weight of 1283.52 g/mol. Its IUPAC name is methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Namemethyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID157228605
Molecular FormulaC60H74N20O9S2
Molecular Weight1283.52 g/mol
Exact Mass1282.54
IUPAC Namemethyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNC(=O)Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)s1.COC(=O)Cc1ccc(-c2nc(N3CCOC[C@H]3C)nc3c2cnn3C2CCOCC2)cc1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)s1
InChIInChI=1S/C24H29N5O4.C19H24N8O3S.C17H21N7O2S/c1-16-15-33-12-9-28(16)24-26-22(18-5-3-17(4-6-18)13-21(30)31-2)20-14-25-29(23(20)27-24)19-7-10-32-11-8-19;1-20-18(28)25-19-21-11-14(31-19)15-13-10-22-27(12-2-6-29-7-3-12)16(13)24-17(23-15)26-4-8-30-9-5-26;18-16-19-10-13(27-16)14-12-9-20-24(11-1-5-25-6-2-11)15(12)22-17(21-14)23-3-7-26-8-4-23/h3-6,14,16,19H,7-13,15H2,1-2H3;10-12H,2-9H2,1H3,(H2,20,21,25,28);9-11H,1-8H2,(H2,18,19)/t16-;;/m1../s1
InChIKeyATVPNVXUPDZXDB-GGMCWBHBSA-N
XLogP6.39
TPSA315.13 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.52
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

methyl N-[4-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate;hydrochloride
CID 46202466
benzyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 58514323
N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide
CID 88890614
2-amino-1-[4-[4-(2-amino-1,3-thiazol-4-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CID 46206013
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 46202140
methyl-[4-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamic acid
CID 118036020
1-methyl-3-[4-[4-morpholin-4-yl-1-(thian-4-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865284
1-[4-[1-[1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 25260914
5-[6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 90993056
2-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]propanoic acid
CID 69274018
ethyl 4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(phenylcarbamoylamino)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 69269582
methyl N-[4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate
CID 91317445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 157228605) is methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine is CNC(=O)Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)s1.COC(=O)Cc1ccc(-c2nc(N3CCOC[C@H]3C)nc3c2cnn3C2CCOCC2)cc1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)s1.
What is the InChIKey of methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ATVPNVXUPDZXDB-GGMCWBHBSA-N. The full InChI is InChI=1S/C24H29N5O4.C19H24N8O3S.C17H21N7O2S/c1-16-15-33-12-9-28(16)24-26-22(18-5-3-17(4-6-18)13-21(30)31-2)20-14-25-29(23(20)27-24)19-7-10-32-11-8-19;1-20-18(28)25-19-21-11-14(31-19)15-13-10-22-27(12-2-6-29-7-3-12)16(13)24-17(23-15)26-4-8-30-9-5-26;18-16-19-10-13(27-16)14-12-9-20-24(11-1-5-25-6-2-11)15(12)22-17(21-14)23-3-7-26-8-4-23/h3-6,14,16,19H,7-13,15H2,1-2H3;10-12H,2-9H2,1H3,(H2,20,21,25,28);9-11H,1-8H2,(H2,18,19)/t16-;;/m1../s1.
What are the key properties of methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine?
methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 1283.52 g/mol, XLogP of 6.39, 12 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 157228605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).