N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide

C23H25FN6O2 — CID 53156980

IUPACN-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nc1
InChIInChI=1S/C23H25FN6O2/c1-16(2)22(31)27-17-7-8-21(25-13-17)30-14-19(26-15-30)23(32)29-11-9-28(10-12-29)20-6-4-3-5-18(20)24/h3-8,13-16H,9-12H2,1-2H3,(H,27,31)
InChIKeySQTADKQJXJCNOM-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.96
Rot. Bonds5

About N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide

N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 53156980) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID53156980
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nc1
InChIInChI=1S/C23H25FN6O2/c1-16(2)22(31)27-17-7-8-21(25-13-17)30-14-19(26-15-30)23(32)29-11-9-28(10-12-29)20-6-4-3-5-18(20)24/h3-8,13-16H,9-12H2,1-2H3,(H,27,31)
InChIKeySQTADKQJXJCNOM-UHFFFAOYSA-N
XLogP2.96
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156979
N-[6-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 53157057
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
N-[6-[4-(3,5-dimethylpiperidine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156927
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42671930
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109191619
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide (CID 53156980) is N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nc1.
What is the InChIKey of N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is SQTADKQJXJCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-16(2)22(31)27-17-7-8-21(25-13-17)30-14-19(26-15-30)23(32)29-11-9-28(10-12-29)20-6-4-3-5-18(20)24/h3-8,13-16H,9-12H2,1-2H3,(H,27,31).
What are the key properties of N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 436.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 53156980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).