N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide

C22H27FN6O — CID 110217988

IUPACN-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1
InChIInChI=1S/C22H27FN6O/c1-16(29-12-9-24-15-29)22(30)25-17-7-10-28(11-8-17)14-18-13-21(26-27(18)2)19-5-3-4-6-20(19)23/h3-6,9,12-13,15-17H,7-8,10-11,14H2,1-2H3,(H,25,30)
InChIKeyACPZZZOQYSEPIB-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide

N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide (PubChem CID 110217988) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide
PubChem CID110217988
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC NameN-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1
InChIInChI=1S/C22H27FN6O/c1-16(29-12-9-24-15-29)22(30)25-17-7-10-28(11-8-17)14-18-13-21(26-27(18)2)19-5-3-4-6-20(19)23/h3-6,9,12-13,15-17H,7-8,10-11,14H2,1-2H3,(H,25,30)
InChIKeyACPZZZOQYSEPIB-UHFFFAOYSA-N
XLogP2.76
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide (CID 110217988) is N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide is CC(C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1.
What is the InChIKey of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is ACPZZZOQYSEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-16(29-12-9-24-15-29)22(30)25-17-7-10-28(11-8-17)14-18-13-21(26-27(18)2)19-5-3-4-6-20(19)23/h3-6,9,12-13,15-17H,7-8,10-11,14H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide?
N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 410.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 110217988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).