tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate

C34H42FN5O4 — CID 144671522

About tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate

tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate (PubChem CID 144671522) has the molecular formula C34H42FN5O4 and a molecular weight of 603.74 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate
• PubChem CID: 144671522
• Molecular Formula: C34H42FN5O4
• Molecular Weight: 603.74 g/mol
• Exact Mass: 603.32
• IUPAC Name: tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate
• SMILES: C=C(Nc1cnc2c(c1N1C[C@H](C)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCC2O)c1ccc(C)c(-c2c(C)cccc2F)n1
• InChI: InChI=1S/C34H42FN5O4/c1-18-9-8-10-23(35)28(18)29-19(2)11-13-24(38-29)21(4)37-25-15-36-30-22(12-14-27(30)41)31(25)40-16-20(3)32(42)26(17-40)39-33(43)44-34(5,6)7/h8-11,13,15,20,26-27,32,37,41-42H,4,12,14,16-17H2,1-3,5-7H3,(H,39,43)/t20-,26+,27?,32+/m0/s1
• InChIKey: QNOLTPINBPRRDA-UULVWBBVSA-N
• XLogP: 5.67
• TPSA: 119.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.74
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate (CID 144671522) is tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate is C=C(Nc1cnc2c(c1N1C[C@H](C)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCC2O)c1ccc(C)c(-c2c(C)cccc2F)n1.

What is the InChIKey of tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate?

The InChIKey is QNOLTPINBPRRDA-UULVWBBVSA-N. The full InChI is InChI=1S/C34H42FN5O4/c1-18-9-8-10-23(35)28(18)29-19(2)11-13-24(38-29)21(4)37-25-15-36-30-22(12-14-27(30)41)31(25)40-16-20(3)32(42)26(17-40)39-33(43)44-34(5,6)7/h8-11,13,15,20,26-27,32,37,41-42H,4,12,14,16-17H2,1-3,5-7H3,(H,39,43)/t20-,26+,27?,32+/m0/s1.

What are the key properties of tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate?

tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate has a molecular weight of 603.74 g/mol, XLogP of 5.67, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R,4R,5S)-1-[3-[1-[6-(2-fluoro-6-methylphenyl)-5-methyl-2-pyridinyl]ethenylamino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 144671522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).