1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one

C23H26FN5O — CID 174574347

IUPAC1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one
SMILESO=C(CNC1CCNCC1)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C23H26FN5O/c24-19-3-1-17(2-4-19)13-21-14-23(18-5-9-25-10-6-18)28-29(21)16-22(30)15-27-20-7-11-26-12-8-20/h1-6,9-10,14,20,26-27H,7-8,11-13,15-16H2
InChIKeyYPPLKSUDBUBEQC-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.59
Rot. Bonds8

About 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one

1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one (PubChem CID 174574347) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one
PubChem CID174574347
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one
SMILESO=C(CNC1CCNCC1)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C23H26FN5O/c24-19-3-1-17(2-4-19)13-21-14-23(18-5-9-25-10-6-18)28-29(21)16-22(30)15-27-20-7-11-26-12-8-20/h1-6,9-10,14,20,26-27H,7-8,11-13,15-16H2
InChIKeyYPPLKSUDBUBEQC-UHFFFAOYSA-N
XLogP2.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?
The IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one (CID 174574347) is 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one is O=C(CNC1CCNCC1)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?
The InChIKey is YPPLKSUDBUBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c24-19-3-1-17(2-4-19)13-21-14-23(18-5-9-25-10-6-18)28-29(21)16-22(30)15-27-20-7-11-26-12-8-20/h1-6,9-10,14,20,26-27H,7-8,11-13,15-16H2.
What are the key properties of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?
1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one has a molecular weight of 407.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one is sourced from PubChem (CID 174574347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).