1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

C26H35FN4O3 — CID 123921974

IUPAC1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(C(O)C(CN2CCCC2)NC(=O)C2CCN(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C26H35FN4O3/c1-18(2)34-24-10-5-19(15-28-24)25(32)23(17-30-12-3-4-13-30)29-26(33)20-11-14-31(16-20)22-8-6-21(27)7-9-22/h5-10,15,18,20,23,25,32H,3-4,11-14,16-17H2,1-2H3,(H,29,33)
InChIKeyBJTYHFAEZIKHTA-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.15
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 123921974) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID123921974
Molecular FormulaC26H35FN4O3
Molecular Weight470.59 g/mol
Exact Mass470.27
IUPAC Name1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(C(O)C(CN2CCCC2)NC(=O)C2CCN(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C26H35FN4O3/c1-18(2)34-24-10-5-19(15-28-24)25(32)23(17-30-12-3-4-13-30)29-26(33)20-11-14-31(16-20)22-8-6-21(27)7-9-22/h5-10,15,18,20,23,25,32H,3-4,11-14,16-17H2,1-2H3,(H,29,33)
InChIKeyBJTYHFAEZIKHTA-UHFFFAOYSA-N
XLogP3.15
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-3-yloxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
CID 11621744
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
CID 11650532
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]propanamide
CID 57394700
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
CID 57398246
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
CID 57401671
N-[(1S)-1-[4-[1-[5-fluoro-2-(2-methylpropoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668651
N-[(1S)-1-[4-[1-[6-(3-fluoropropoxy)-3-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668661
3-fluoro-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclobutane-1-carboxamide
CID 91668735
N-[(1S)-1-[4-[(3R)-1-[3-fluoro-2-(2-methylpropoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668934
1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 75461254
(4R)-N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-L-prolinamide
CID 56741685
(RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide
CID 10246820

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 123921974) is 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is CC(C)Oc1ccc(C(O)C(CN2CCCC2)NC(=O)C2CCN(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is BJTYHFAEZIKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-18(2)34-24-10-5-19(15-28-24)25(32)23(17-30-12-3-4-13-30)29-26(33)20-11-14-31(16-20)22-8-6-21(27)7-9-22/h5-10,15,18,20,23,25,32H,3-4,11-14,16-17H2,1-2H3,(H,29,33).
What are the key properties of 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123921974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).