5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25FN8O2 — CID 67502847

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1
InChIInChI=1S/C23H25FN8O2/c1-14(2)31-9-6-19(29-31)27-22(33)17-13-26-32-10-7-20(28-21(17)32)30-8-4-5-18(30)16-11-15(24)12-25-23(16)34-3/h6-7,9-14,18H,4-5,8H2,1-3H3,(H,27,29,33)/t18-/m1/s1
InChIKeyYHWLSZUFSOTFQF-GOSISDBHSA-N
MW464.51 g/mol
LogP3.64
Rot. Bonds6

About 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67502847) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67502847
Molecular FormulaC23H25FN8O2
Molecular Weight464.51 g/mol
Exact Mass464.21
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1
InChIInChI=1S/C23H25FN8O2/c1-14(2)31-9-6-19(29-31)27-22(33)17-13-26-32-10-7-20(28-21(17)32)30-8-4-5-18(30)16-11-15(24)12-25-23(16)34-3/h6-7,9-14,18H,4-5,8H2,1-3H3,(H,27,29,33)/t18-/m1/s1
InChIKeyYHWLSZUFSOTFQF-GOSISDBHSA-N
XLogP3.64
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67502847) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YHWLSZUFSOTFQF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25FN8O2/c1-14(2)31-9-6-19(29-31)27-22(33)17-13-26-32-10-7-20(28-21(17)32)30-8-4-5-18(30)16-11-15(24)12-25-23(16)34-3/h6-7,9-14,18H,4-5,8H2,1-3H3,(H,27,29,33)/t18-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67502847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).