(15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one

C33H37FN6O3 — CID 177326077

About (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one

(15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one (PubChem CID 177326077) has the molecular formula C33H37FN6O3 and a molecular weight of 584.70 g/mol. Its IUPAC name is (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one.

Molecular Properties

• Compound Name: (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one
• PubChem CID: 177326077
• Molecular Formula: C33H37FN6O3
• Molecular Weight: 584.70 g/mol
• Exact Mass: 584.29
• IUPAC Name: (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one
• SMILES: CN1CCC[C@H]1COc1nc2c3cnc(c(F)c3n1)-c1cccc3cccc(c13)CCCOC(=O)N[C@]1(C)CCCN2C1
• InChI: InChI=1S/C33H37FN6O3/c1-33-14-7-16-40(20-33)30-25-18-35-28(27(34)29(25)36-31(37-30)43-19-23-12-5-15-39(23)2)24-13-4-10-21-8-3-9-22(26(21)24)11-6-17-42-32(41)38-33/h3-4,8-10,13,18,23H,5-7,11-12,14-17,19-20H2,1-2H3,(H,38,41)/t23-,33+/m0/s1
• InChIKey: RXPIECZBFOUKMP-FLASPHMUSA-N
• XLogP: 5.49
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.70
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one?

The IUPAC name of (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one (CID 177326077) is (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one.

What is the SMILES notation for (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one?

The canonical SMILES for (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one is CN1CCC[C@H]1COc1nc2c3cnc(c(F)c3n1)-c1cccc3cccc(c13)CCCOC(=O)N[C@]1(C)CCCN2C1.

What is the InChIKey of (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one?

The InChIKey is RXPIECZBFOUKMP-FLASPHMUSA-N. The full InChI is InChI=1S/C33H37FN6O3/c1-33-14-7-16-40(20-33)30-25-18-35-28(27(34)29(25)36-31(37-30)43-19-23-12-5-15-39(23)2)24-13-4-10-21-8-3-9-22(26(21)24)11-6-17-42-32(41)38-33/h3-4,8-10,13,18,23H,5-7,11-12,14-17,19-20H2,1-2H3,(H,38,41)/t23-,33+/m0/s1.

What are the key properties of (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one?

(15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one has a molecular weight of 584.70 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (15R)-32-fluoro-15-methyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-18-oxa-3,7,9,11,16-pentazahexacyclo[20.7.1.12,6.111,15.05,10.026,30]dotriaconta-1(29),2,4,6(32),7,9,22,24,26(30),27-decaen-17-one is sourced from PubChem (CID 177326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).