(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

C18H25N5O — CID 95880768

IUPAC(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCCc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H25N5O/c1-4-14-8-16(23-18(20-14)11(2)12(3)21-23)19-9-13-7-17(24)22(10-13)15-5-6-15/h8,13,15,19H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyNNFBBZJGNBQPEH-CYBMUJFWSA-N
MW327.43 g/mol
LogP2.33
Rot. Bonds5

About (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95880768) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95880768
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCCc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H25N5O/c1-4-14-8-16(23-18(20-14)11(2)12(3)21-23)19-9-13-7-17(24)22(10-13)15-5-6-15/h8,13,15,19H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyNNFBBZJGNBQPEH-CYBMUJFWSA-N
XLogP2.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (CID 95880768) is (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is CCc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is NNFBBZJGNBQPEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-14-8-16(23-18(20-14)11(2)12(3)21-23)19-9-13-7-17(24)22(10-13)15-5-6-15/h8,13,15,19H,4-7,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95880768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).