N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide

C22H26FN5O — CID 72921633

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C22H26FN5O/c1-26(21(29)20-16-28-10-3-9-24-22(28)25-20)15-18-7-12-27(13-8-18)11-6-17-4-2-5-19(23)14-17/h2-5,9-10,14,16,18H,6-8,11-13,15H2,1H3
InChIKeyDQXZHUOSYIOZDS-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.90
Rot. Bonds6

About N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 72921633) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID72921633
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C22H26FN5O/c1-26(21(29)20-16-28-10-3-9-24-22(28)25-20)15-18-7-12-27(13-8-18)11-6-17-4-2-5-19(23)14-17/h2-5,9-10,14,16,18H,6-8,11-13,15H2,1H3
InChIKeyDQXZHUOSYIOZDS-UHFFFAOYSA-N
XLogP2.90
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 72921633) is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide is CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1cn2cccnc2n1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DQXZHUOSYIOZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-26(21(29)20-16-28-10-3-9-24-22(28)25-20)15-18-7-12-27(13-8-18)11-6-17-4-2-5-19(23)14-17/h2-5,9-10,14,16,18H,6-8,11-13,15H2,1H3.
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 72921633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).