7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H30FN7O3 — CID 142523251

IUPAC7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(Nc2cccn(C3CC4(COC4)C3)c2=O)nc2c(C(=O)NC3CC3F)cnn12
InChIInChI=1S/C29H30FN7O3/c1-35(15-18-6-3-2-4-7-18)25-11-24(34-26-20(14-31-37(25)26)27(38)33-23-10-21(23)30)32-22-8-5-9-36(28(22)39)19-12-29(13-19)16-40-17-29/h2-9,11,14,19,21,23H,10,12-13,15-17H2,1H3,(H,32,34)(H,33,38)
InChIKeyQCAJXXOWGROWNL-UHFFFAOYSA-N
MW543.60 g/mol
LogP3.46
Rot. Bonds8

About 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523251) has the molecular formula C29H30FN7O3 and a molecular weight of 543.60 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142523251
Molecular FormulaC29H30FN7O3
Molecular Weight543.60 g/mol
Exact Mass543.24
IUPAC Name7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(Nc2cccn(C3CC4(COC4)C3)c2=O)nc2c(C(=O)NC3CC3F)cnn12
InChIInChI=1S/C29H30FN7O3/c1-35(15-18-6-3-2-4-7-18)25-11-24(34-26-20(14-31-37(25)26)27(38)33-23-10-21(23)30)32-22-8-5-9-36(28(22)39)19-12-29(13-19)16-40-17-29/h2-9,11,14,19,21,23H,10,12-13,15-17H2,1H3,(H,32,34)(H,33,38)
InChIKeyQCAJXXOWGROWNL-UHFFFAOYSA-N
XLogP3.46
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523251) is 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1ccccc1)c1cc(Nc2cccn(C3CC4(COC4)C3)c2=O)nc2c(C(=O)NC3CC3F)cnn12.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QCAJXXOWGROWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3/c1-35(15-18-6-3-2-4-7-18)25-11-24(34-26-20(14-31-37(25)26)27(38)33-23-10-21(23)30)32-22-8-5-9-36(28(22)39)19-12-29(13-19)16-40-17-29/h2-9,11,14,19,21,23H,10,12-13,15-17H2,1H3,(H,32,34)(H,33,38).
What are the key properties of 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 543.60 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-(2-fluorocyclopropyl)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).