N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C23H28FN5OS — CID 30854337

IUPACN-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C23H28FN5OS/c1-16(2)13-22(30)27-21-7-10-25-29(21)19-8-11-28(12-9-19)14-23-26-20(15-31-23)17-3-5-18(24)6-4-17/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,27,30)
InChIKeyIMKWRHRDBSRHFF-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.97
Rot. Bonds7

About N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 30854337) has the molecular formula C23H28FN5OS and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID30854337
Molecular FormulaC23H28FN5OS
Molecular Weight441.58 g/mol
Exact Mass441.20
IUPAC NameN-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C23H28FN5OS/c1-16(2)13-22(30)27-21-7-10-25-29(21)19-8-11-28(12-9-19)14-23-26-20(15-31-23)17-3-5-18(24)6-4-17/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,27,30)
InChIKeyIMKWRHRDBSRHFF-UHFFFAOYSA-N
XLogP4.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42508756
3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42596631
N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 56744490
1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137345365
3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25453298
N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 26336788
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
CID 154884999
4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 74241415
3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42152409
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 30854337) is N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is IMKWRHRDBSRHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS/c1-16(2)13-22(30)27-21-7-10-25-29(21)19-8-11-28(12-9-19)14-23-26-20(15-31-23)17-3-5-18(24)6-4-17/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 441.58 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 30854337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).