4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one

C25H30FN5O — CID 123611429

IUPAC4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
SMILESCCC(CC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(C)C1CC1
InChIInChI=1S/C25H30FN5O/c1-3-17(16(2)18-6-7-18)12-23(32)21-15-28-31-10-8-24(29-25(21)31)30-9-4-5-22(30)19-11-20(26)14-27-13-19/h8,10-11,13-18,22H,3-7,9,12H2,1-2H3
InChIKeyDOIBZAPAEXBDBU-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.25
Rot. Bonds8

About 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one

4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one (PubChem CID 123611429) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
PubChem CID123611429
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
SMILESCCC(CC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(C)C1CC1
InChIInChI=1S/C25H30FN5O/c1-3-17(16(2)18-6-7-18)12-23(32)21-15-28-31-10-8-24(29-25(21)31)30-9-4-5-22(30)19-11-20(26)14-27-13-19/h8,10-11,13-18,22H,3-7,9,12H2,1-2H3
InChIKeyDOIBZAPAEXBDBU-UHFFFAOYSA-N
XLogP5.25
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one?
The IUPAC name of 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one (CID 123611429) is 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one.
What is the SMILES notation for 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one?
The canonical SMILES for 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one is CCC(CC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(C)C1CC1.
What is the InChIKey of 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one?
The InChIKey is DOIBZAPAEXBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-3-17(16(2)18-6-7-18)12-23(32)21-15-28-31-10-8-24(29-25(21)31)30-9-4-5-22(30)19-11-20(26)14-27-13-19/h8,10-11,13-18,22H,3-7,9,12H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one?
4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one has a molecular weight of 435.55 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-ethyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one is sourced from PubChem (CID 123611429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).