N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23FN8O2 — CID 67500855

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)n[nH]1
InChIInChI=1S/C22H23FN8O2/c1-3-14-10-18(29-28-14)26-21(32)16-12-25-31-8-6-19(27-20(16)31)30-7-4-5-17(30)15-9-13(23)11-24-22(15)33-2/h6,8-12,17H,3-5,7H2,1-2H3,(H2,26,28,29,32)
InChIKeyITGKPZIBLXMPGK-UHFFFAOYSA-N
MW450.48 g/mol
LogP3.15
Rot. Bonds6

About N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500855) has the molecular formula C22H23FN8O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500855
Molecular FormulaC22H23FN8O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)n[nH]1
InChIInChI=1S/C22H23FN8O2/c1-3-14-10-18(29-28-14)26-21(32)16-12-25-31-8-6-19(27-20(16)31)30-7-4-5-17(30)15-9-13(23)11-24-22(15)33-2/h6,8-12,17H,3-5,7H2,1-2H3,(H2,26,28,29,32)
InChIKeyITGKPZIBLXMPGK-UHFFFAOYSA-N
XLogP3.15
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500855) is N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ITGKPZIBLXMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O2/c1-3-14-10-18(29-28-14)26-21(32)16-12-25-31-8-6-19(27-20(16)31)30-7-4-5-17(30)15-9-13(23)11-24-22(15)33-2/h6,8-12,17H,3-5,7H2,1-2H3,(H2,26,28,29,32).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).