6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one

C19H17N5O — CID 70878976

IUPAC6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
SMILESCc1cnn2c(NCc3cccc(=O)[nH]3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5O/c1-13-11-21-24-17(20-12-15-8-5-9-18(25)22-15)10-16(23-19(13)24)14-6-3-2-4-7-14/h2-11,20H,12H2,1H3,(H,22,25)
InChIKeyASSISTQFQWEENM-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.01
Rot. Bonds4

About 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one

6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 70878976) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID70878976
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
SMILESCc1cnn2c(NCc3cccc(=O)[nH]3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5O/c1-13-11-21-24-17(20-12-15-8-5-9-18(25)22-15)10-16(23-19(13)24)14-6-3-2-4-7-14/h2-11,20H,12H2,1H3,(H,22,25)
InChIKeyASSISTQFQWEENM-UHFFFAOYSA-N
XLogP3.01
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (CID 70878976) is 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is Cc1cnn2c(NCc3cccc(=O)[nH]3)cc(-c3ccccc3)nc12.
What is the InChIKey of 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is ASSISTQFQWEENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-11-21-24-17(20-12-15-8-5-9-18(25)22-15)10-16(23-19(13)24)14-6-3-2-4-7-14/h2-11,20H,12H2,1H3,(H,22,25).
What are the key properties of 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 331.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 70878976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).