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

C24H26FN5O2 — CID 58142684

IUPAC(3S)-N-[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)[C@@H]1CNCC1c1ccccc1
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)/t19?,20-/m1/s1
InChIKeyRWKRLJQFKNJZOA-GFOWMXPYSA-N
MW435.50 g/mol
LogP2.99
Rot. Bonds5

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

(3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide (PubChem CID 58142684) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide
PubChem CID58142684
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name(3S)-N-[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)[C@@H]1CNCC1c1ccccc1
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)/t19?,20-/m1/s1
InChIKeyRWKRLJQFKNJZOA-GFOWMXPYSA-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 (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide (CID 58142684) is (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-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)[C@@H]1CNCC1c1ccccc1.
What is the InChIKey of (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is RWKRLJQFKNJZOA-GFOWMXPYSA-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)/t19?,20-/m1/s1.
What are the key properties of (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide?
(3S)-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 (3S)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 58142684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).