(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

C21H23N5O — CID 95871433

IUPAC(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CC(=O)N(C4CC4)C3)n2n1
InChIInChI=1S/C21H23N5O/c1-14-9-20-23-18(16-5-3-2-4-6-16)11-19(26(20)24-14)22-12-15-10-21(27)25(13-15)17-7-8-17/h2-6,9,11,15,17,22H,7-8,10,12-13H2,1H3/t15-/m0/s1
InChIKeyXBGMWURMDLBJCS-HNNXBMFYSA-N
MW361.45 g/mol
LogP3.13
Rot. Bonds5

About (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95871433) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95871433
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CC(=O)N(C4CC4)C3)n2n1
InChIInChI=1S/C21H23N5O/c1-14-9-20-23-18(16-5-3-2-4-6-16)11-19(26(20)24-14)22-12-15-10-21(27)25(13-15)17-7-8-17/h2-6,9,11,15,17,22H,7-8,10,12-13H2,1H3/t15-/m0/s1
InChIKeyXBGMWURMDLBJCS-HNNXBMFYSA-N
XLogP3.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (CID 95871433) is (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is Cc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CC(=O)N(C4CC4)C3)n2n1.
What is the InChIKey of (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is XBGMWURMDLBJCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-9-20-23-18(16-5-3-2-4-6-16)11-19(26(20)24-14)22-12-15-10-21(27)25(13-15)17-7-8-17/h2-6,9,11,15,17,22H,7-8,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95871433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).