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

C24H21FN8O — CID 147282137

IUPAC5-[(2R)-2-(3-fluoro-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]5c5ncccc5F)nc34)c2)c1
InChIInChI=1S/C24H21FN8O/c1-34-18-10-16(11-26-13-18)17-12-28-33(15-17)21-14-29-32-9-6-22(30-24(21)32)31-8-3-5-20(31)23-19(25)4-2-7-27-23/h2,4,6-7,9-15,20H,3,5,8H2,1H3/t20-/m1/s1
InChIKeyCSNCCZUIDUOCAH-HXUWFJFHSA-N
MW456.49 g/mol
LogP3.86
Rot. Bonds5

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

5-[(2R)-2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 147282137) has the molecular formula C24H21FN8O and a molecular weight of 456.49 g/mol. Its IUPAC name is 5-[(2R)-2-(3-fluoro-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-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID147282137
Molecular FormulaC24H21FN8O
Molecular Weight456.49 g/mol
Exact Mass456.18
IUPAC Name5-[(2R)-2-(3-fluoro-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]5c5ncccc5F)nc34)c2)c1
InChIInChI=1S/C24H21FN8O/c1-34-18-10-16(11-26-13-18)17-12-28-33(15-17)21-14-29-32-9-6-22(30-24(21)32)31-8-3-5-20(31)23-19(25)4-2-7-27-23/h2,4,6-7,9-15,20H,3,5,8H2,1H3/t20-/m1/s1
InChIKeyCSNCCZUIDUOCAH-HXUWFJFHSA-N
XLogP3.86
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(3-fluoro-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-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine (CID 147282137) is 5-[(2R)-2-(3-fluoro-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-fluoro-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-fluoro-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]5c5ncccc5F)nc34)c2)c1.
What is the InChIKey of 5-[(2R)-2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CSNCCZUIDUOCAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21FN8O/c1-34-18-10-16(11-26-13-18)17-12-28-33(15-17)21-14-29-32-9-6-22(30-24(21)32)31-8-3-5-20(31)23-19(25)4-2-7-27-23/h2,4,6-7,9-15,20H,3,5,8H2,1H3/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 456.49 g/mol, XLogP of 3.86, 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-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 147282137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).