3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C23H27FN8O — CID 118295463

IUPAC3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cn4)c3n2)n[nH]1
InChIInChI=1S/C23H27FN8O/c1-14-10-21(29-28-14)26-20-11-18(13-31-6-8-33-9-7-31)32-23(27-20)22(16(3)30-32)15(2)19-5-4-17(24)12-25-19/h4-5,10-12,15H,6-9,13H2,1-3H3,(H2,26,27,28,29)/t15-/m0/s1
InChIKeyZKZVDCPKCYTIDF-HNNXBMFYSA-N
MW450.52 g/mol
LogP3.33
Rot. Bonds6

About 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118295463) has the molecular formula C23H27FN8O and a molecular weight of 450.52 g/mol. Its IUPAC name is 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118295463
Molecular FormulaC23H27FN8O
Molecular Weight450.52 g/mol
Exact Mass450.23
IUPAC Name3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cn4)c3n2)n[nH]1
InChIInChI=1S/C23H27FN8O/c1-14-10-21(29-28-14)26-20-11-18(13-31-6-8-33-9-7-31)32-23(27-20)22(16(3)30-32)15(2)19-5-4-17(24)12-25-19/h4-5,10-12,15H,6-9,13H2,1-3H3,(H2,26,27,28,29)/t15-/m0/s1
InChIKeyZKZVDCPKCYTIDF-HNNXBMFYSA-N
XLogP3.33
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 118295463) is 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cn4)c3n2)n[nH]1.
What is the InChIKey of 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ZKZVDCPKCYTIDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27FN8O/c1-14-10-21(29-28-14)26-20-11-18(13-31-6-8-33-9-7-31)32-23(27-20)22(16(3)30-32)15(2)19-5-4-17(24)12-25-19/h4-5,10-12,15H,6-9,13H2,1-3H3,(H2,26,27,28,29)/t15-/m0/s1.
What are the key properties of 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 450.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118295463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).