N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide

C26H33FN6O — CID 142168749

IUPACN-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide
SMILESCC(C)N(C)c1ccc(-c2c(-c3ccc(F)cc3)nn(C3CCNCC3)c2N)cc1N(C)C=O
InChIInChI=1S/C26H33FN6O/c1-17(2)32(4)22-10-7-19(15-23(22)31(3)16-34)24-25(18-5-8-20(27)9-6-18)30-33(26(24)28)21-11-13-29-14-12-21/h5-10,15-17,21,29H,11-14,28H2,1-4H3
InChIKeyXNCJFKBNUIJNTP-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.30
Rot. Bonds7

About N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide

N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide (PubChem CID 142168749) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide
PubChem CID142168749
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC NameN-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide
SMILESCC(C)N(C)c1ccc(-c2c(-c3ccc(F)cc3)nn(C3CCNCC3)c2N)cc1N(C)C=O
InChIInChI=1S/C26H33FN6O/c1-17(2)32(4)22-10-7-19(15-23(22)31(3)16-34)24-25(18-5-8-20(27)9-6-18)30-33(26(24)28)21-11-13-29-14-12-21/h5-10,15-17,21,29H,11-14,28H2,1-4H3
InChIKeyXNCJFKBNUIJNTP-UHFFFAOYSA-N
XLogP4.30
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide?
The IUPAC name of N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide (CID 142168749) is N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide.
What is the SMILES notation for N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide?
The canonical SMILES for N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide is CC(C)N(C)c1ccc(-c2c(-c3ccc(F)cc3)nn(C3CCNCC3)c2N)cc1N(C)C=O.
What is the InChIKey of N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide?
The InChIKey is XNCJFKBNUIJNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O/c1-17(2)32(4)22-10-7-19(15-23(22)31(3)16-34)24-25(18-5-8-20(27)9-6-18)30-33(26(24)28)21-11-13-29-14-12-21/h5-10,15-17,21,29H,11-14,28H2,1-4H3.
What are the key properties of N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide?
N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide has a molecular weight of 464.59 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-amino-3-(4-fluorophenyl)-1-piperidin-4-ylpyrazol-4-yl]-2-[methyl(propan-2-yl)amino]phenyl]-N-methylformamide is sourced from PubChem (CID 142168749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).