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

C26H30FN5O2 — CID 67091868

IUPACN-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H30FN5O2/c1-3-25(33)30(2)22-10-14-31(15-11-22)26(34)18-32-23(16-19-4-6-21(27)7-5-19)17-24(29-32)20-8-12-28-13-9-20/h4-9,12-13,17,22H,3,10-11,14-16,18H2,1-2H3
InChIKeyDAXXGKFDNBUUAL-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.53
Rot. Bonds7

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

N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide (PubChem CID 67091868) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide
PubChem CID67091868
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC NameN-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H30FN5O2/c1-3-25(33)30(2)22-10-14-31(15-11-22)26(34)18-32-23(16-19-4-6-21(27)7-5-19)17-24(29-32)20-8-12-28-13-9-20/h4-9,12-13,17,22H,3,10-11,14-16,18H2,1-2H3
InChIKeyDAXXGKFDNBUUAL-UHFFFAOYSA-N
XLogP3.53
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.53
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-methylpropanamide?
The IUPAC name of N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide (CID 67091868) is N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide is CCC(=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-methylpropanamide?
The InChIKey is DAXXGKFDNBUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-3-25(33)30(2)22-10-14-31(15-11-22)26(34)18-32-23(16-19-4-6-21(27)7-5-19)17-24(29-32)20-8-12-28-13-9-20/h4-9,12-13,17,22H,3,10-11,14-16,18H2,1-2H3.
What are the key properties of N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide?
N-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-N-methylpropanamide has a molecular weight of 463.56 g/mol, XLogP of 3.53, 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-methylpropanamide is sourced from PubChem (CID 67091868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).