N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

C28H38FN3O3 — CID 91472844

IUPACN-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(C)C2)Oc2ncc(CC(C)C)cc21
InChIInChI=1S/C28H38FN3O3/c1-17(2)9-21-10-23-25(14-28(12-18(3)13-28)35-27(23)31-15-21)30-16-26(34)24(32-19(4)33)11-20-5-7-22(29)8-6-20/h5-8,10,15,17-18,24-26,30,34H,9,11-14,16H2,1-4H3,(H,32,33)/t18?,24-,25+,26-,28?/m1/s1
InChIKeyOPJGYFQDTRRCRR-XARPDCMRSA-N
MW483.63 g/mol
LogP4.11
Rot. Bonds9

About N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (PubChem CID 91472844) has the molecular formula C28H38FN3O3 and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
PubChem CID91472844
Molecular FormulaC28H38FN3O3
Molecular Weight483.63 g/mol
Exact Mass483.29
IUPAC NameN-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(C)C2)Oc2ncc(CC(C)C)cc21
InChIInChI=1S/C28H38FN3O3/c1-17(2)9-21-10-23-25(14-28(12-18(3)13-28)35-27(23)31-15-21)30-16-26(34)24(32-19(4)33)11-20-5-7-22(29)8-6-20/h5-8,10,15,17-18,24-26,30,34H,9,11-14,16H2,1-4H3,(H,32,33)/t18?,24-,25+,26-,28?/m1/s1
InChIKeyOPJGYFQDTRRCRR-XARPDCMRSA-N
XLogP4.11
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3R)-4-[[(4S)-6-(cyclopropylmethyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 67305556
N-[(2S,3S)-1-(3-fluorophenyl)-3-hydroxy-4-[[(4S)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 67306029
N-[(2S,3R)-1-(3-cyanophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 67270241
N-[(2S,3S)-1-(4-chlorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68700884
N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 67305328
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(2R,4R)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,3'-oxolane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68697440
N-[(2S,3S)-1-[3-(dimethylamino)-4-fluorophenyl]-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68697385
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 16750499
N-[(2S,3S)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-c]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 68694914
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-(2,3,4-trifluorophenyl)butan-2-yl]acetamide
CID 68693299
N-[(2S,3S)-1-(3-fluorophenyl)-3-hydroxy-4-[[(4S)-6-(3,3,3-trifluoro-1-hydroxy-2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 68694480
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-[(1R)-1-fluoro-2,2-dimethylpropyl]spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68701217

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (CID 91472844) is N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is CC(=O)N[C@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(C)C2)Oc2ncc(CC(C)C)cc21.
What is the InChIKey of N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The InChIKey is OPJGYFQDTRRCRR-XARPDCMRSA-N. The full InChI is InChI=1S/C28H38FN3O3/c1-17(2)9-21-10-23-25(14-28(12-18(3)13-28)35-27(23)31-15-21)30-16-26(34)24(32-19(4)33)11-20-5-7-22(29)8-6-20/h5-8,10,15,17-18,24-26,30,34H,9,11-14,16H2,1-4H3,(H,32,33)/t18?,24-,25+,26-,28?/m1/s1.
What are the key properties of N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[[(4S)-3'-methyl-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 91472844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).