(19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile

C23H18FN7O2 — CID 171529174

IUPAC(19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile
SMILESCc1cc2n(n1)-c1ccc(F)cc1[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C)c1C2=O
InChIInChI=1S/C23H18FN7O2/c1-11-6-18-22(32)21-20(16(9-25)29-30(21)3)13-7-19(23(26)27-10-13)33-12(2)15-8-14(24)4-5-17(15)31(18)28-11/h4-8,10,12H,1-3H3,(H2,26,27)/t12-/m1/s1
InChIKeyLAIRFJBBRKKPRP-GFCCVEGCSA-N
MW443.44 g/mol
LogP3.25
Rot. Bonds

About (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile

(19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile (PubChem CID 171529174) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile.

Molecular Properties

Compound Name(19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile
PubChem CID171529174
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC Name(19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile
SMILESCc1cc2n(n1)-c1ccc(F)cc1[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C)c1C2=O
InChIInChI=1S/C23H18FN7O2/c1-11-6-18-22(32)21-20(16(9-25)29-30(21)3)13-7-19(23(26)27-10-13)33-12(2)15-8-14(24)4-5-17(15)31(18)28-11/h4-8,10,12H,1-3H3,(H2,26,27)/t12-/m1/s1
InChIKeyLAIRFJBBRKKPRP-GFCCVEGCSA-N
XLogP3.25
TPSA124.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
The IUPAC name of (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile (CID 171529174) is (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile.
What is the SMILES notation for (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
The canonical SMILES for (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile is Cc1cc2n(n1)-c1ccc(F)cc1[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C)c1C2=O.
What is the InChIKey of (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
The InChIKey is LAIRFJBBRKKPRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-11-6-18-22(32)21-20(16(9-25)29-30(21)3)13-7-19(23(26)27-10-13)33-12(2)15-8-14(24)4-5-17(15)31(18)28-11/h4-8,10,12H,1-3H3,(H2,26,27)/t12-/m1/s1.
What are the key properties of (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
(19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile has a molecular weight of 443.44 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-22-amino-16-fluoro-5,10,19-trimethyl-7-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile is sourced from PubChem (CID 171529174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).