7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine

C17H18FN5 — CID 110118122

IUPAC7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESFc1cccnc1CN1CCCCC1c1ccn2ccnc2n1
InChIInChI=1S/C17H18FN5/c18-13-4-3-7-19-15(13)12-23-9-2-1-5-16(23)14-6-10-22-11-8-20-17(22)21-14/h3-4,6-8,10-11,16H,1-2,5,9,12H2
InChIKeyAFHDZWDWWNWNAL-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.99
Rot. Bonds3

About 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine

7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine (PubChem CID 110118122) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
PubChem CID110118122
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESFc1cccnc1CN1CCCCC1c1ccn2ccnc2n1
InChIInChI=1S/C17H18FN5/c18-13-4-3-7-19-15(13)12-23-9-2-1-5-16(23)14-6-10-22-11-8-20-17(22)21-14/h3-4,6-8,10-11,16H,1-2,5,9,12H2
InChIKeyAFHDZWDWWNWNAL-UHFFFAOYSA-N
XLogP2.99
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine (CID 110118122) is 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine is Fc1cccnc1CN1CCCCC1c1ccn2ccnc2n1.
What is the InChIKey of 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is AFHDZWDWWNWNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c18-13-4-3-7-19-15(13)12-23-9-2-1-5-16(23)14-6-10-22-11-8-20-17(22)21-14/h3-4,6-8,10-11,16H,1-2,5,9,12H2.
What are the key properties of 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 311.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 110118122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).