5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine

C24H20F2N8O — CID 147906050

IUPAC5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cncc(-c2cnn(-c3cnn4ccc(N5CCC[C@@H]5c5nc(F)ccc5F)nc34)c2)c1
InChIInChI=1S/C24H20F2N8O/c1-35-17-9-15(10-27-12-17)16-11-28-34(14-16)20-13-29-33-8-6-22(31-24(20)33)32-7-2-3-19(32)23-18(25)4-5-21(26)30-23/h4-6,8-14,19H,2-3,7H2,1H3/t19-/m1/s1
InChIKeyIFEYPPSMVUHFEX-LJQANCHMSA-N
MW474.48 g/mol
LogP4.00
Rot. Bonds5

About 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine

5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 147906050) has the molecular formula C24H20F2N8O and a molecular weight of 474.48 g/mol. Its IUPAC name is 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID147906050
Molecular FormulaC24H20F2N8O
Molecular Weight474.48 g/mol
Exact Mass474.17
IUPAC Name5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cncc(-c2cnn(-c3cnn4ccc(N5CCC[C@@H]5c5nc(F)ccc5F)nc34)c2)c1
InChIInChI=1S/C24H20F2N8O/c1-35-17-9-15(10-27-12-17)16-11-28-34(14-16)20-13-29-33-8-6-22(31-24(20)33)32-7-2-3-19(32)23-18(25)4-5-21(26)30-23/h4-6,8-14,19H,2-3,7H2,1H3/t19-/m1/s1
InChIKeyIFEYPPSMVUHFEX-LJQANCHMSA-N
XLogP4.00
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine (CID 147906050) is 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine is COc1cncc(-c2cnn(-c3cnn4ccc(N5CCC[C@@H]5c5nc(F)ccc5F)nc34)c2)c1.
What is the InChIKey of 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is IFEYPPSMVUHFEX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H20F2N8O/c1-35-17-9-15(10-27-12-17)16-11-28-34(14-16)20-13-29-33-8-6-22(31-24(20)33)32-7-2-3-19(32)23-18(25)4-5-21(26)30-23/h4-6,8-14,19H,2-3,7H2,1H3/t19-/m1/s1.
What are the key properties of 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 474.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 147906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).