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

C23H28FN7O4S — CID 67500747

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1
InChIInChI=1S/C23H28FN7O4S/c1-35-23-17(12-15(24)13-25-23)19-4-3-8-30(19)20-7-11-31-21(28-20)18(14-26-31)22(32)27-16-5-9-29(10-6-16)36(2,33)34/h7,11-14,16,19H,3-6,8-10H2,1-2H3,(H,27,32)/t19-/m1/s1
InChIKeyFPPLXTGCMYMFDI-LJQANCHMSA-N
MW517.59 g/mol
LogP1.77
Rot. Bonds6

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

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500747) has the molecular formula C23H28FN7O4S and a molecular weight of 517.59 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-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-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500747
Molecular FormulaC23H28FN7O4S
Molecular Weight517.59 g/mol
Exact Mass517.19
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1
InChIInChI=1S/C23H28FN7O4S/c1-35-23-17(12-15(24)13-25-23)19-4-3-8-30(19)20-7-11-31-21(28-20)18(14-26-31)22(32)27-16-5-9-29(10-6-16)36(2,33)34/h7,11-14,16,19H,3-6,8-10H2,1-2H3,(H,27,32)/t19-/m1/s1
InChIKeyFPPLXTGCMYMFDI-LJQANCHMSA-N
XLogP1.77
TPSA122.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 51.77
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-methylsulfonylpiperidin-4-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-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500747) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-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-methylsulfonylpiperidin-4-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-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPPLXTGCMYMFDI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28FN7O4S/c1-35-23-17(12-15(24)13-25-23)19-4-3-8-30(19)20-7-11-31-21(28-20)18(14-26-31)22(32)27-16-5-9-29(10-6-16)36(2,33)34/h7,11-14,16,19H,3-6,8-10H2,1-2H3,(H,27,32)/t19-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 1.77, 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-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).