ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate

C19H25FN4O2 — CID 91469392

IUPACethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1(F)CC12CCC(c1cc(N(C)C)n3nccc3n1)CC2
InChIInChI=1S/C19H25FN4O2/c1-4-26-17(25)19(20)12-18(19)8-5-13(6-9-18)14-11-16(23(2)3)24-15(22-14)7-10-21-24/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyKFGKAUCGXAKYQQ-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.11
Rot. Bonds4

About ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate

ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate (PubChem CID 91469392) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
PubChem CID91469392
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Nameethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1(F)CC12CCC(c1cc(N(C)C)n3nccc3n1)CC2
InChIInChI=1S/C19H25FN4O2/c1-4-26-17(25)19(20)12-18(19)8-5-13(6-9-18)14-11-16(23(2)3)24-15(22-14)7-10-21-24/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyKFGKAUCGXAKYQQ-UHFFFAOYSA-N
XLogP3.11
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate (CID 91469392) is ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate is CCOC(=O)C1(F)CC12CCC(c1cc(N(C)C)n3nccc3n1)CC2.
What is the InChIKey of ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate?
The InChIKey is KFGKAUCGXAKYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-4-26-17(25)19(20)12-18(19)8-5-13(6-9-18)14-11-16(23(2)3)24-15(22-14)7-10-21-24/h7,10-11,13H,4-6,8-9,12H2,1-3H3.
What are the key properties of ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate?
ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate has a molecular weight of 360.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorospiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 91469392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).