(1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

C24H32N6O5 — CID 122165151

IUPAC(1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
SMILESCOCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCNC[C@H]4C(=O)NC[C@H]2O3)nn1
InChIInChI=1S/C24H32N6O5/c1-33-15-16-14-30(28-27-16)19-7-6-17-8-11-34-21-5-3-2-4-18(21)24(32)29-10-9-25-12-20(29)23(31)26-13-22(19)35-17/h2-5,14,17,19-20,22,25H,6-13,15H2,1H3,(H,26,31)/t17-,19+,20-,22+/m0/s1
InChIKeyFYIDCIKFWOMPAQ-ZJDLJICXSA-N
MW484.56 g/mol
LogP0.53
Rot. Bonds3

About (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

(1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione (PubChem CID 122165151) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione.

Molecular Properties

Compound Name(1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
PubChem CID122165151
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC Name(1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
SMILESCOCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCNC[C@H]4C(=O)NC[C@H]2O3)nn1
InChIInChI=1S/C24H32N6O5/c1-33-15-16-14-30(28-27-16)19-7-6-17-8-11-34-21-5-3-2-4-18(21)24(32)29-10-9-25-12-20(29)23(31)26-13-22(19)35-17/h2-5,14,17,19-20,22,25H,6-13,15H2,1H3,(H,26,31)/t17-,19+,20-,22+/m0/s1
InChIKeyFYIDCIKFWOMPAQ-ZJDLJICXSA-N
XLogP0.53
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
The IUPAC name of (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione (CID 122165151) is (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione.
What is the SMILES notation for (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
The canonical SMILES for (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione is COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCNC[C@H]4C(=O)NC[C@H]2O3)nn1.
What is the InChIKey of (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
The InChIKey is FYIDCIKFWOMPAQ-ZJDLJICXSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-33-15-16-14-30(28-27-16)19-7-6-17-8-11-34-21-5-3-2-4-18(21)24(32)29-10-9-25-12-20(29)23(31)26-13-22(19)35-17/h2-5,14,17,19-20,22,25H,6-13,15H2,1H3,(H,26,31)/t17-,19+,20-,22+/m0/s1.
What are the key properties of (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
(1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione has a molecular weight of 484.56 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,21S,24R)-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione is sourced from PubChem (CID 122165151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).