5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one

C18H18FN5O2 — CID 139552841

IUPAC5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
SMILESCCC(=O)c1cnn2ccc(N(C)C3(c4cc(F)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C18H18FN5O2/c1-3-14(25)12-10-21-24-7-4-15(22-16(12)24)23(2)18(5-6-18)13-8-11(19)9-20-17(13)26/h4,7-10H,3,5-6H2,1-2H3,(H,20,26)
InChIKeyPSCPVDSCVOPIFZ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.27
Rot. Bonds5

About 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one

5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one (PubChem CID 139552841) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
PubChem CID139552841
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
SMILESCCC(=O)c1cnn2ccc(N(C)C3(c4cc(F)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C18H18FN5O2/c1-3-14(25)12-10-21-24-7-4-15(22-16(12)24)23(2)18(5-6-18)13-8-11(19)9-20-17(13)26/h4,7-10H,3,5-6H2,1-2H3,(H,20,26)
InChIKeyPSCPVDSCVOPIFZ-UHFFFAOYSA-N
XLogP2.27
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one (CID 139552841) is 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one is CCC(=O)c1cnn2ccc(N(C)C3(c4cc(F)c[nH]c4=O)CC3)nc12.
What is the InChIKey of 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
The InChIKey is PSCPVDSCVOPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-3-14(25)12-10-21-24-7-4-15(22-16(12)24)23(2)18(5-6-18)13-8-11(19)9-20-17(13)26/h4,7-10H,3,5-6H2,1-2H3,(H,20,26).
What are the key properties of 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one has a molecular weight of 355.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 139552841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).