methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate

C19H25N5O3 — CID 165422476

About methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate

methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate (PubChem CID 165422476) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate
• PubChem CID: 165422476
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate
• SMILES: COC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnn3cccnc23)N1CC1CC1
• InChI: InChI=1S/C19H25N5O3/c1-27-17(25)9-14-5-6-15(23(14)12-13-3-4-13)10-21-19(26)16-11-22-24-8-2-7-20-18(16)24/h2,7-8,11,13-15H,3-6,9-10,12H2,1H3,(H,21,26)/t14-,15+/m1/s1
• InChIKey: MXOPCPVOCZBTIA-CABCVRRESA-N
• XLogP: 1.27
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate?

The IUPAC name of methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate (CID 165422476) is methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate.

What is the SMILES notation for methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate?

The canonical SMILES for methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate is COC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnn3cccnc23)N1CC1CC1.

What is the InChIKey of methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate?

The InChIKey is MXOPCPVOCZBTIA-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N5O3/c1-27-17(25)9-14-5-6-15(23(14)12-13-3-4-13)10-21-19(26)16-11-22-24-8-2-7-20-18(16)24/h2,7-8,11,13-15H,3-6,9-10,12H2,1H3,(H,21,26)/t14-,15+/m1/s1.

What are the key properties of methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate?

methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate has a molecular weight of 371.44 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 165422476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).