N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide

C27H32FN5O2 — CID 67092222

IUPACN-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H32FN5O2/c1-19(2)27(35)31(3)23-10-14-32(15-11-23)26(34)18-33-24(16-20-4-6-22(28)7-5-20)17-25(30-33)21-8-12-29-13-9-21/h4-9,12-13,17,19,23H,10-11,14-16,18H2,1-3H3
InChIKeyDZRYAUCYPWHXLC-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.78
Rot. Bonds7

About N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide

N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide (PubChem CID 67092222) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide
PubChem CID67092222
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC NameN-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H32FN5O2/c1-19(2)27(35)31(3)23-10-14-32(15-11-23)26(34)18-33-24(16-20-4-6-22(28)7-5-20)17-25(30-33)21-8-12-29-13-9-21/h4-9,12-13,17,19,23H,10-11,14-16,18H2,1-3H3
InChIKeyDZRYAUCYPWHXLC-UHFFFAOYSA-N
XLogP3.78
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide (CID 67092222) is N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide?
The InChIKey is DZRYAUCYPWHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-19(2)27(35)31(3)23-10-14-32(15-11-23)26(34)18-33-24(16-20-4-6-22(28)7-5-20)17-25(30-33)21-8-12-29-13-9-21/h4-9,12-13,17,19,23H,10-11,14-16,18H2,1-3H3.
What are the key properties of N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide?
N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide has a molecular weight of 477.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 67092222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).