1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone

C19H23N7O2 — CID 95867860

IUPAC1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](CNc2nc(-c3ccccn3)nc3c2c(C)nn3C)C1
InChIInChI=1S/C19H23N7O2/c1-12-16-18(21-10-14-11-26(13(2)27)8-9-28-14)22-17(15-6-4-5-7-20-15)23-19(16)25(3)24-12/h4-7,14H,8-11H2,1-3H3,(H,21,22,23)/t14-/m0/s1
InChIKeyPWTXNQFNZRWKBM-AWEZNQCLSA-N
MW381.44 g/mol
LogP1.39
Rot. Bonds4

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

1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone (PubChem CID 95867860) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
PubChem CID95867860
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](CNc2nc(-c3ccccn3)nc3c2c(C)nn3C)C1
InChIInChI=1S/C19H23N7O2/c1-12-16-18(21-10-14-11-26(13(2)27)8-9-28-14)22-17(15-6-4-5-7-20-15)23-19(16)25(3)24-12/h4-7,14H,8-11H2,1-3H3,(H,21,22,23)/t14-/m0/s1
InChIKeyPWTXNQFNZRWKBM-AWEZNQCLSA-N
XLogP1.39
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone (CID 95867860) is 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](CNc2nc(-c3ccccn3)nc3c2c(C)nn3C)C1.
What is the InChIKey of 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is PWTXNQFNZRWKBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12-16-18(21-10-14-11-26(13(2)27)8-9-28-14)22-17(15-6-4-5-7-20-15)23-19(16)25(3)24-12/h4-7,14H,8-11H2,1-3H3,(H,21,22,23)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 381.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95867860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).