(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C93H97FN26O5 — CID 157092502

IUPAC(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(=O)c2nn(C3CCNC3)c3ncnc(N)c23)cc1.Cc1cccc(C(=O)c2nn(C3CCCC3)c3ncnc(N)c23)c1.Cc1cccc(C(F)c2nn(C3CCCC3)c3ncnc(N)c23)c1.Cc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(C(=O)c1ccccc1Oc1ccccc1)nn2C1CCCO1
InChIInChI=1S/C22H19N5O3.C18H20FN5.C18H19N5O.C18H21N5.C17H18N6O/c23-21-18-19(26-27(17-11-6-12-29-17)22(18)25-13-24-21)20(28)15-9-4-5-10-16(15)30-14-7-2-1-3-8-14;1-11-5-4-6-12(9-11)15(19)16-14-17(20)21-10-22-18(14)24(23-16)13-7-2-3-8-13;1-11-5-4-6-12(9-11)16(24)15-14-17(19)20-10-21-18(14)23(22-15)13-7-2-3-8-13;1-12-5-4-6-13(9-12)10-15-16-17(19)20-11-21-18(16)23(22-15)14-7-2-3-8-14;1-10-2-4-11(5-3-10)15(24)14-13-16(18)20-9-21-17(13)23(22-14)12-6-7-19-8-12/h1-5,7-10,13,17H,6,11-12H2,(H2,23,24,25);4-6,9-10,13,15H,2-3,7-8H2,1H3,(H2,20,21,22);4-6,9-10,13H,2-3,7-8H2,1H3,(H2,19,20,21);4-6,9,11,14H,2-3,7-8,10H2,1H3,(H2,19,20,21);2-5,9,12,19H,6-8H2,1H3,(H2,18,20,21)
InChIKeyAEVBDZDLHPVYMJ-UHFFFAOYSA-N
MW1677.97 g/mol
LogP15.60
Rot. Bonds17

About (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157092502) has the molecular formula C93H97FN26O5 and a molecular weight of 1677.97 g/mol. Its IUPAC name is (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID157092502
Molecular FormulaC93H97FN26O5
Molecular Weight1677.97 g/mol
Exact Mass1676.81
IUPAC Name(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(=O)c2nn(C3CCNC3)c3ncnc(N)c23)cc1.Cc1cccc(C(=O)c2nn(C3CCCC3)c3ncnc(N)c23)c1.Cc1cccc(C(F)c2nn(C3CCCC3)c3ncnc(N)c23)c1.Cc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(C(=O)c1ccccc1Oc1ccccc1)nn2C1CCCO1
InChIInChI=1S/C22H19N5O3.C18H20FN5.C18H19N5O.C18H21N5.C17H18N6O/c23-21-18-19(26-27(17-11-6-12-29-17)22(18)25-13-24-21)20(28)15-9-4-5-10-16(15)30-14-7-2-1-3-8-14;1-11-5-4-6-12(9-11)15(19)16-14-17(20)21-10-22-18(14)24(23-16)13-7-2-3-8-13;1-11-5-4-6-12(9-11)16(24)15-14-17(19)20-10-21-18(14)23(22-15)13-7-2-3-8-13;1-12-5-4-6-13(9-12)10-15-16-17(19)20-11-21-18(16)23(22-15)14-7-2-3-8-14;1-10-2-4-11(5-3-10)15(24)14-13-16(18)20-9-21-17(13)23(22-14)12-6-7-19-8-12/h1-5,7-10,13,17H,6,11-12H2,(H2,23,24,25);4-6,9-10,13,15H,2-3,7-8H2,1H3,(H2,20,21,22);4-6,9-10,13H,2-3,7-8H2,1H3,(H2,19,20,21);4-6,9,11,14H,2-3,7-8,10H2,1H3,(H2,19,20,21);2-5,9,12,19H,6-8H2,1H3,(H2,18,20,21)
InChIKeyAEVBDZDLHPVYMJ-UHFFFAOYSA-N
XLogP15.60
TPSA429.80 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.97
LogP ≤ 515.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158180333
N-[[3-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 118579141
3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
N-[3-[[4-amino-1-(cyclopropylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]methyl]phenyl]-3-methylbenzamide
CID 58506750
3-[(3,5-dimethoxyphenoxy)methyl]-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175458787
1-[(3R)-3-[4-amino-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-(4-methylphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157454433
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxy-4-methylbenzamide
CID 118579328
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 90150400
3-[4-(2-fluorophenoxy)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162434024
tert-butyl 4-(3-piperazin-1-ylpropyl)piperazine-1-carboxylate;1-cyclohexyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 177157739
1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56944275

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 157092502) is (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(C(=O)c2nn(C3CCNC3)c3ncnc(N)c23)cc1.Cc1cccc(C(=O)c2nn(C3CCCC3)c3ncnc(N)c23)c1.Cc1cccc(C(F)c2nn(C3CCCC3)c3ncnc(N)c23)c1.Cc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(C(=O)c1ccccc1Oc1ccccc1)nn2C1CCCO1.
What is the InChIKey of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AEVBDZDLHPVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3.C18H20FN5.C18H19N5O.C18H21N5.C17H18N6O/c23-21-18-19(26-27(17-11-6-12-29-17)22(18)25-13-24-21)20(28)15-9-4-5-10-16(15)30-14-7-2-1-3-8-14;1-11-5-4-6-12(9-11)15(19)16-14-17(20)21-10-22-18(14)24(23-16)13-7-2-3-8-13;1-11-5-4-6-12(9-11)16(24)15-14-17(19)20-10-21-18(14)23(22-15)13-7-2-3-8-13;1-12-5-4-6-13(9-12)10-15-16-17(19)20-11-21-18(16)23(22-15)14-7-2-3-8-14;1-10-2-4-11(5-3-10)15(24)14-13-16(18)20-9-21-17(13)23(22-14)12-6-7-19-8-12/h1-5,7-10,13,17H,6,11-12H2,(H2,23,24,25);4-6,9-10,13,15H,2-3,7-8H2,1H3,(H2,20,21,22);4-6,9-10,13H,2-3,7-8H2,1H3,(H2,19,20,21);4-6,9,11,14H,2-3,7-8,10H2,1H3,(H2,19,20,21);2-5,9,12,19H,6-8H2,1H3,(H2,18,20,21).
What are the key properties of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1677.97 g/mol, XLogP of 15.60, 17 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157092502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).