1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H23N7O3S — CID 68771386

IUPAC1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1nn(C2CC2)c2nc(Nc3ccc(N4CCOCC4)cc3)nc(N)c12
InChIInChI=1S/C19H23N7O3S/c1-30(27,28)18-15-16(20)22-19(23-17(15)26(24-18)14-6-7-14)21-12-2-4-13(5-3-12)25-8-10-29-11-9-25/h2-5,14H,6-11H2,1H3,(H3,20,21,22,23)
InChIKeyQCGGZWOTVICOAW-UHFFFAOYSA-N
MW429.51 g/mol
LogP1.73
Rot. Bonds5

About 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 68771386) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID68771386
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1nn(C2CC2)c2nc(Nc3ccc(N4CCOCC4)cc3)nc(N)c12
InChIInChI=1S/C19H23N7O3S/c1-30(27,28)18-15-16(20)22-19(23-17(15)26(24-18)14-6-7-14)21-12-2-4-13(5-3-12)25-8-10-29-11-9-25/h2-5,14H,6-11H2,1H3,(H3,20,21,22,23)
InChIKeyQCGGZWOTVICOAW-UHFFFAOYSA-N
XLogP1.73
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-methylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68771850
1-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68774816
4-N-ethyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 59591810
4-[[3-methylsulfonyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-1-ol
CID 59591687
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
N-[3-[6-amino-2-(4-morpholin-4-ylanilino)purin-9-yl]cyclohexyl]prop-2-enamide
CID 118420645
4-[[3-methylsulfonyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]butanamide
CID 59591749
1-cycloheptyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 24959348
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 68771386) is 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is CS(=O)(=O)c1nn(C2CC2)c2nc(Nc3ccc(N4CCOCC4)cc3)nc(N)c12.
What is the InChIKey of 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is QCGGZWOTVICOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-30(27,28)18-15-16(20)22-19(23-17(15)26(24-18)14-6-7-14)21-12-2-4-13(5-3-12)25-8-10-29-11-9-25/h2-5,14H,6-11H2,1H3,(H3,20,21,22,23).
What are the key properties of 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 429.51 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylsulfonyl-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 68771386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).