(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol

C19H26N6O — CID 95713399

IUPAC(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)Nc1nc(-c2ccccn2)nc2c1cnn2C
InChIInChI=1S/C19H26N6O/c1-13(8-7-10-19(2,3)26)22-16-14-12-21-25(4)18(14)24-17(23-16)15-9-5-6-11-20-15/h5-6,9,11-13,26H,7-8,10H2,1-4H3,(H,22,23,24)/t13-/m0/s1
InChIKeyRVIDMTZJFLTYPI-ZDUSSCGKSA-N
MW354.46 g/mol
LogP3.17
Rot. Bonds7

About (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol

(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol (PubChem CID 95713399) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol.

Molecular Properties

Compound Name(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol
PubChem CID95713399
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)Nc1nc(-c2ccccn2)nc2c1cnn2C
InChIInChI=1S/C19H26N6O/c1-13(8-7-10-19(2,3)26)22-16-14-12-21-25(4)18(14)24-17(23-16)15-9-5-6-11-20-15/h5-6,9,11-13,26H,7-8,10H2,1-4H3,(H,22,23,24)/t13-/m0/s1
InChIKeyRVIDMTZJFLTYPI-ZDUSSCGKSA-N
XLogP3.17
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol?
The IUPAC name of (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol (CID 95713399) is (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol.
What is the SMILES notation for (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol?
The canonical SMILES for (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol is C[C@@H](CCCC(C)(C)O)Nc1nc(-c2ccccn2)nc2c1cnn2C.
What is the InChIKey of (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol?
The InChIKey is RVIDMTZJFLTYPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13(8-7-10-19(2,3)26)22-16-14-12-21-25(4)18(14)24-17(23-16)15-9-5-6-11-20-15/h5-6,9,11-13,26H,7-8,10H2,1-4H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol?
(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol has a molecular weight of 354.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol is sourced from PubChem (CID 95713399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).