(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol

C20H25N9O — CID 86765998

IUPAC(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol
SMILESCn1nc(Nc2nc(N[C@@H](CO)c3cccnc3)nc3[nH]ncc23)cc1C(C)(C)C
InChIInChI=1S/C20H25N9O/c1-20(2,3)15-8-16(28-29(15)4)24-17-13-10-22-27-18(13)26-19(25-17)23-14(11-30)12-6-5-7-21-9-12/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1
InChIKeyRJMQXFZUFZBGKZ-AWEZNQCLSA-N
MW407.48 g/mol
LogP2.67
Rot. Bonds6

About (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol

(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol (PubChem CID 86765998) has the molecular formula C20H25N9O and a molecular weight of 407.48 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol
PubChem CID86765998
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol
SMILESCn1nc(Nc2nc(N[C@@H](CO)c3cccnc3)nc3[nH]ncc23)cc1C(C)(C)C
InChIInChI=1S/C20H25N9O/c1-20(2,3)15-8-16(28-29(15)4)24-17-13-10-22-27-18(13)26-19(25-17)23-14(11-30)12-6-5-7-21-9-12/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1
InChIKeyRJMQXFZUFZBGKZ-AWEZNQCLSA-N
XLogP2.67
TPSA129.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol?
The IUPAC name of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol (CID 86765998) is (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol.
What is the SMILES notation for (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol?
The canonical SMILES for (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol is Cn1nc(Nc2nc(N[C@@H](CO)c3cccnc3)nc3[nH]ncc23)cc1C(C)(C)C.
What is the InChIKey of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol?
The InChIKey is RJMQXFZUFZBGKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N9O/c1-20(2,3)15-8-16(28-29(15)4)24-17-13-10-22-27-18(13)26-19(25-17)23-14(11-30)12-6-5-7-21-9-12/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1.
What are the key properties of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol?
(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol has a molecular weight of 407.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-pyridin-3-ylethanol is sourced from PubChem (CID 86765998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).