[4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol

C19H24N6O2 — CID 56898499

IUPAC[4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C19H24N6O2/c1-24(12-19(13-26)5-8-27-9-6-19)17-15-11-21-25(2)18(15)23-16(22-17)14-4-3-7-20-10-14/h3-4,7,10-11,26H,5-6,8-9,12-13H2,1-2H3
InChIKeyCQGWZCRRQVXPGY-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.65
Rot. Bonds5

About [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol

[4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 56898499) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID56898499
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C19H24N6O2/c1-24(12-19(13-26)5-8-27-9-6-19)17-15-11-21-25(2)18(15)23-16(22-17)14-4-3-7-20-10-14/h3-4,7,10-11,26H,5-6,8-9,12-13H2,1-2H3
InChIKeyCQGWZCRRQVXPGY-UHFFFAOYSA-N
XLogP1.65
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol (CID 56898499) is [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol is CN(CC1(CO)CCOCC1)c1nc(-c2cccnc2)nc2c1cnn2C.
What is the InChIKey of [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is CQGWZCRRQVXPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-24(12-19(13-26)5-8-27-9-6-19)17-15-11-21-25(2)18(15)23-16(22-17)14-4-3-7-20-10-14/h3-4,7,10-11,26H,5-6,8-9,12-13H2,1-2H3.
What are the key properties of [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 368.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 56898499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).