(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile

C24H23N7O2 — CID 122434349

IUPAC(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cc(=O)n(C)n1-2
InChIInChI=1S/C24H23N7O2/c1-13-5-6-19-17(7-13)14(2)33-21-8-15(12-27-24(21)26)23-18(28-29(3)20(23)11-25)9-16-10-22(32)30(4)31(16)19/h5-8,10,12,14H,9H2,1-4H3,(H2,26,27)/t14-/m1/s1
InChIKeyAGSKVWUFRIFUBN-CQSZACIVSA-N
MW441.50 g/mol
LogP2.78
Rot. Bonds

About (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile

(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile (PubChem CID 122434349) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile.

Molecular Properties

Compound Name(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile
PubChem CID122434349
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cc(=O)n(C)n1-2
InChIInChI=1S/C24H23N7O2/c1-13-5-6-19-17(7-13)14(2)33-21-8-15(12-27-24(21)26)23-18(28-29(3)20(23)11-25)9-16-10-22(32)30(4)31(16)19/h5-8,10,12,14H,9H2,1-4H3,(H2,26,27)/t14-/m1/s1
InChIKeyAGSKVWUFRIFUBN-CQSZACIVSA-N
XLogP2.78
TPSA116.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?
The IUPAC name of (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile (CID 122434349) is (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile.
What is the SMILES notation for (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?
The canonical SMILES for (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cc(=O)n(C)n1-2.
What is the InChIKey of (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?
The InChIKey is AGSKVWUFRIFUBN-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-13-5-6-19-17(7-13)14(2)33-21-8-15(12-27-24(21)26)23-18(28-29(3)20(23)11-25)9-16-10-22(32)30(4)31(16)19/h5-8,10,12,14H,9H2,1-4H3,(H2,26,27)/t14-/m1/s1.
What are the key properties of (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?
(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile has a molecular weight of 441.50 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile is sourced from PubChem (CID 122434349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).