24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione

C29H37FN8O3 — CID 167383191

IUPAC24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
SMILESCC1Oc2ccc(F)cc2C(=O)N2CCCCC2c2cc3nc(N4CC(N)C4)cc(n3n2)N(C(C)C)CCNC1=O
InChIInChI=1S/C29H37FN8O3/c1-17(2)36-11-9-32-28(39)18(3)41-24-8-7-19(30)12-21(24)29(40)37-10-5-4-6-23(37)22-13-26-33-25(35-15-20(31)16-35)14-27(36)38(26)34-22/h7-8,12-14,17-18,20,23H,4-6,9-11,15-16,31H2,1-3H3,(H,32,39)
InChIKeyHMINOHOQMWSAAV-UHFFFAOYSA-N
MW564.67 g/mol
LogP2.49
Rot. Bonds2

About 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione

24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione (PubChem CID 167383191) has the molecular formula C29H37FN8O3 and a molecular weight of 564.67 g/mol. Its IUPAC name is 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione.

Molecular Properties

Compound Name24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
PubChem CID167383191
Molecular FormulaC29H37FN8O3
Molecular Weight564.67 g/mol
Exact Mass564.30
IUPAC Name24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
SMILESCC1Oc2ccc(F)cc2C(=O)N2CCCCC2c2cc3nc(N4CC(N)C4)cc(n3n2)N(C(C)C)CCNC1=O
InChIInChI=1S/C29H37FN8O3/c1-17(2)36-11-9-32-28(39)18(3)41-24-8-7-19(30)12-21(24)29(40)37-10-5-4-6-23(37)22-13-26-33-25(35-15-20(31)16-35)14-27(36)38(26)34-22/h7-8,12-14,17-18,20,23H,4-6,9-11,15-16,31H2,1-3H3,(H,32,39)
InChIKeyHMINOHOQMWSAAV-UHFFFAOYSA-N
XLogP2.49
TPSA121.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.67
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?
The IUPAC name of 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione (CID 167383191) is 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione.
What is the SMILES notation for 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?
The canonical SMILES for 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione is CC1Oc2ccc(F)cc2C(=O)N2CCCCC2c2cc3nc(N4CC(N)C4)cc(n3n2)N(C(C)C)CCNC1=O.
What is the InChIKey of 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?
The InChIKey is HMINOHOQMWSAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN8O3/c1-17(2)36-11-9-32-28(39)18(3)41-24-8-7-19(30)12-21(24)29(40)37-10-5-4-6-23(37)22-13-26-33-25(35-15-20(31)16-35)14-27(36)38(26)34-22/h7-8,12-14,17-18,20,23H,4-6,9-11,15-16,31H2,1-3H3,(H,32,39).
What are the key properties of 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione?
24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione has a molecular weight of 564.67 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(3-aminoazetidin-1-yl)-11-fluoro-16-methyl-21-propan-2-yl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione is sourced from PubChem (CID 167383191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).