23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol

C23H25FN4O2 — CID 170004028

IUPAC23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol
SMILESCc1ccc2cc1COCCCCNC(O)c1ccc(c(F)c1)-c1ccnc(n1)N2
InChIInChI=1S/C23H25FN4O2/c1-15-4-6-18-12-17(15)14-30-11-3-2-9-25-22(29)16-5-7-19(20(24)13-16)21-8-10-26-23(27-18)28-21/h4-8,10,12-13,22,25,29H,2-3,9,11,14H2,1H3,(H,26,27,28)
InChIKeyRSNPSWUYAGAJBO-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.23
Rot. Bonds

About 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol

23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol (PubChem CID 170004028) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol.

Molecular Properties

Compound Name23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol
PubChem CID170004028
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol
SMILESCc1ccc2cc1COCCCCNC(O)c1ccc(c(F)c1)-c1ccnc(n1)N2
InChIInChI=1S/C23H25FN4O2/c1-15-4-6-18-12-17(15)14-30-11-3-2-9-25-22(29)16-5-7-19(20(24)13-16)21-8-10-26-23(27-18)28-21/h4-8,10,12-13,22,25,29H,2-3,9,11,14H2,1H3,(H,26,27,28)
InChIKeyRSNPSWUYAGAJBO-UHFFFAOYSA-N
XLogP4.23
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol?
The IUPAC name of 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol (CID 170004028) is 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol.
What is the SMILES notation for 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol?
The canonical SMILES for 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol is Cc1ccc2cc1COCCCCNC(O)c1ccc(c(F)c1)-c1ccnc(n1)N2.
What is the InChIKey of 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol?
The InChIKey is RSNPSWUYAGAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15-4-6-18-12-17(15)14-30-11-3-2-9-25-22(29)16-5-7-19(20(24)13-16)21-8-10-26-23(27-18)28-21/h4-8,10,12-13,22,25,29H,2-3,9,11,14H2,1H3,(H,26,27,28).
What are the key properties of 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol?
23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol has a molecular weight of 408.48 g/mol, XLogP of 4.23, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-fluoro-11-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-ol is sourced from PubChem (CID 170004028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).