N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide

C24H26FN5O2 — CID 74949072

IUPACN-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(F)c(-c2cn[nH]c2)cc1N1CCOCC1)C1CNCC1c1ccccc1
InChIInChI=1S/C24H26FN5O2/c25-21-11-22(29-24(31)20-15-26-14-19(20)16-4-2-1-3-5-16)23(30-6-8-32-9-7-30)10-18(21)17-12-27-28-13-17/h1-5,10-13,19-20,26H,6-9,14-15H2,(H,27,28)(H,29,31)
InChIKeyRWKRLJQFKNJZOA-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.99
Rot. Bonds5

About N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide

N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide (PubChem CID 74949072) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide
PubChem CID74949072
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(F)c(-c2cn[nH]c2)cc1N1CCOCC1)C1CNCC1c1ccccc1
InChIInChI=1S/C24H26FN5O2/c25-21-11-22(29-24(31)20-15-26-14-19(20)16-4-2-1-3-5-16)23(30-6-8-32-9-7-30)10-18(21)17-12-27-28-13-17/h1-5,10-13,19-20,26H,6-9,14-15H2,(H,27,28)(H,29,31)
InChIKeyRWKRLJQFKNJZOA-UHFFFAOYSA-N
XLogP2.99
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide (CID 74949072) is N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide is O=C(Nc1cc(F)c(-c2cn[nH]c2)cc1N1CCOCC1)C1CNCC1c1ccccc1.
What is the InChIKey of N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is RWKRLJQFKNJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-21-11-22(29-24(31)20-15-26-14-19(20)16-4-2-1-3-5-16)23(30-6-8-32-9-7-30)10-18(21)17-12-27-28-13-17/h1-5,10-13,19-20,26H,6-9,14-15H2,(H,27,28)(H,29,31).
What are the key properties of N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 74949072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).