[(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone

C23H22N6O2 — CID 134539853

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CC[C@H](N)C2)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C23H22N6O2/c1-31-21-12-16(23(30)28-9-7-17(24)14-28)11-20(26-21)18-13-25-29-10-8-19(27-22(18)29)15-5-3-2-4-6-15/h2-6,8,10-13,17H,7,9,14,24H2,1H3/t17-/m0/s1
InChIKeyBQFNKKMGSLSIOL-KRWDZBQOSA-N
MW414.47 g/mol
LogP2.64
Rot. Bonds4

About [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (PubChem CID 134539853) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
PubChem CID134539853
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CC[C@H](N)C2)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C23H22N6O2/c1-31-21-12-16(23(30)28-9-7-17(24)14-28)11-20(26-21)18-13-25-29-10-8-19(27-22(18)29)15-5-3-2-4-6-15/h2-6,8,10-13,17H,7,9,14,24H2,1H3/t17-/m0/s1
InChIKeyBQFNKKMGSLSIOL-KRWDZBQOSA-N
XLogP2.64
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (CID 134539853) is [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is COc1cc(C(=O)N2CC[C@H](N)C2)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The InChIKey is BQFNKKMGSLSIOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-31-21-12-16(23(30)28-9-7-17(24)14-28)11-20(26-21)18-13-25-29-10-8-19(27-22(18)29)15-5-3-2-4-6-15/h2-6,8,10-13,17H,7,9,14,24H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone has a molecular weight of 414.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 134539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).