(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone

C18H18N4O — CID 124996846

IUPAC(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone
SMILESCc1cnc2cc(C(=O)N3CCC[C@H]3c3ccccc3)nn2c1
InChIInChI=1S/C18H18N4O/c1-13-11-19-17-10-15(20-22(17)12-13)18(23)21-9-5-8-16(21)14-6-3-2-4-7-14/h2-4,6-7,10-12,16H,5,8-9H2,1H3/t16-/m0/s1
InChIKeyQWDWQCVSMJLZFW-INIZCTEOSA-N
MW306.37 g/mol
LogP3.02
Rot. Bonds2

About (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone

(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 124996846) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone
PubChem CID124996846
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone
SMILESCc1cnc2cc(C(=O)N3CCC[C@H]3c3ccccc3)nn2c1
InChIInChI=1S/C18H18N4O/c1-13-11-19-17-10-15(20-22(17)12-13)18(23)21-9-5-8-16(21)14-6-3-2-4-7-14/h2-4,6-7,10-12,16H,5,8-9H2,1H3/t16-/m0/s1
InChIKeyQWDWQCVSMJLZFW-INIZCTEOSA-N
XLogP3.02
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 55758691
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
[6-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperidin-1-yl)methanone
CID 50912868
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890
(6-methylimidazo[1,2-a]pyridin-3-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 75392982
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (CID 124996846) is (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone is Cc1cnc2cc(C(=O)N3CCC[C@H]3c3ccccc3)nn2c1.
What is the InChIKey of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is QWDWQCVSMJLZFW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-11-19-17-10-15(20-22(17)12-13)18(23)21-9-5-8-16(21)14-6-3-2-4-7-14/h2-4,6-7,10-12,16H,5,8-9H2,1H3/t16-/m0/s1.
What are the key properties of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124996846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).