3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one

C23H27FN6O3 — CID 146569857

IUPAC3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@@H]3O)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3F)cnn12
InChIInChI=1S/C23H27FN6O3/c1-25-21-11-20(27-16-4-3-9-29(23(16)33)17-5-2-6-18(17)31)28-22-14(12-26-30(21)22)19(32)10-13-7-8-15(13)24/h3-4,9,11-13,15,17-18,25,31H,2,5-8,10H2,1H3,(H,27,28)/t13-,15+,17+,18-/m0/s1
InChIKeyFCGFZZFPXLRBBN-NZPGVSJUSA-N
MW454.51 g/mol
LogP3.08
Rot. Bonds7

About 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one

3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one (PubChem CID 146569857) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one.

Molecular Properties

Compound Name3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one
PubChem CID146569857
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@@H]3O)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3F)cnn12
InChIInChI=1S/C23H27FN6O3/c1-25-21-11-20(27-16-4-3-9-29(23(16)33)17-5-2-6-18(17)31)28-22-14(12-26-30(21)22)19(32)10-13-7-8-15(13)24/h3-4,9,11-13,15,17-18,25,31H,2,5-8,10H2,1H3,(H,27,28)/t13-,15+,17+,18-/m0/s1
InChIKeyFCGFZZFPXLRBBN-NZPGVSJUSA-N
XLogP3.08
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one?
The IUPAC name of 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one (CID 146569857) is 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one.
What is the SMILES notation for 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one?
The canonical SMILES for 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one is CNc1cc(Nc2cccn([C@@H]3CCC[C@@H]3O)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3F)cnn12.
What is the InChIKey of 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one?
The InChIKey is FCGFZZFPXLRBBN-NZPGVSJUSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-25-21-11-20(27-16-4-3-9-29(23(16)33)17-5-2-6-18(17)31)28-22-14(12-26-30(21)22)19(32)10-13-7-8-15(13)24/h3-4,9,11-13,15,17-18,25,31H,2,5-8,10H2,1H3,(H,27,28)/t13-,15+,17+,18-/m0/s1.
What are the key properties of 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one?
3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one has a molecular weight of 454.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-[(1S,2R)-2-fluorocyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one is sourced from PubChem (CID 146569857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).