1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one

C26H25ClFN5O2 — CID 166165570

IUPAC1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(-c3cc(F)cc(-c4ccnc(N5CC[C@@](C)(N)C5)c4)c3O)cc2Cl)c1=O
InChIInChI=1S/C26H25ClFN5O2/c1-26(29)6-8-32(15-26)23-12-17(5-7-30-23)20-14-18(28)13-19(24(20)34)16-3-4-22(21(27)11-16)33-10-9-31(2)25(33)35/h3-5,7,9-14,34H,6,8,15,29H2,1-2H3/t26-/m1/s1
InChIKeyKNRNLEPYQOHTEO-AREMUKBSSA-N
MW493.97 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one

1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one (PubChem CID 166165570) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
PubChem CID166165570
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(-c3cc(F)cc(-c4ccnc(N5CC[C@@](C)(N)C5)c4)c3O)cc2Cl)c1=O
InChIInChI=1S/C26H25ClFN5O2/c1-26(29)6-8-32(15-26)23-12-17(5-7-30-23)20-14-18(28)13-19(24(20)34)16-3-4-22(21(27)11-16)33-10-9-31(2)25(33)35/h3-5,7,9-14,34H,6,8,15,29H2,1-2H3/t26-/m1/s1
InChIKeyKNRNLEPYQOHTEO-AREMUKBSSA-N
XLogP4.33
TPSA89.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one with MolForge

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Related Compounds

CID 70227157
CID 70227157
CID 166165561
CID 166165561
CID 166165563
CID 166165563
CID 166165572
CID 166165572
CID 166165574
CID 166165574
CID 166165575
CID 166165575
CID 166165577
CID 166165577
CID 166165580
CID 166165580
CID 166165585
CID 166165585
CID 166165599
CID 166165599
CID 166165601
CID 166165601
CID 166165605
CID 166165605

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one (CID 166165570) is 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one is Cn1ccn(-c2ccc(-c3cc(F)cc(-c4ccnc(N5CC[C@@](C)(N)C5)c4)c3O)cc2Cl)c1=O.
What is the InChIKey of 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The InChIKey is KNRNLEPYQOHTEO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c1-26(29)6-8-32(15-26)23-12-17(5-7-30-23)20-14-18(28)13-19(24(20)34)16-3-4-22(21(27)11-16)33-10-9-31(2)25(33)35/h3-5,7,9-14,34H,6,8,15,29H2,1-2H3/t26-/m1/s1.
What are the key properties of 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one has a molecular weight of 493.97 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[2-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 166165570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).