2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

C25H30FN5O — CID 123973608

IUPAC2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
SMILESCC(C(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CCCCCC1
InChIInChI=1S/C25H30FN5O/c1-17(18-7-4-2-3-5-8-18)24(32)21-16-28-31-12-10-23(29-25(21)31)30-11-6-9-22(30)19-13-20(26)15-27-14-19/h10,12-18,22H,2-9,11H2,1H3
InChIKeyGUKWLDDINOTJTF-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.39
Rot. Bonds5

About 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (PubChem CID 123973608) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.

Molecular Properties

Compound Name2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
PubChem CID123973608
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
SMILESCC(C(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CCCCCC1
InChIInChI=1S/C25H30FN5O/c1-17(18-7-4-2-3-5-8-18)24(32)21-16-28-31-12-10-23(29-25(21)31)30-11-6-9-22(30)19-13-20(26)15-27-14-19/h10,12-18,22H,2-9,11H2,1H3
InChIKeyGUKWLDDINOTJTF-UHFFFAOYSA-N
XLogP5.39
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The IUPAC name of 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (CID 123973608) is 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.
What is the SMILES notation for 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The canonical SMILES for 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is CC(C(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The InChIKey is GUKWLDDINOTJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-17(18-7-4-2-3-5-8-18)24(32)21-16-28-31-12-10-23(29-25(21)31)30-11-6-9-22(30)19-13-20(26)15-27-14-19/h10,12-18,22H,2-9,11H2,1H3.
What are the key properties of 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one has a molecular weight of 435.55 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is sourced from PubChem (CID 123973608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).