(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one

C22H24FN7O2 — CID 162711003

IUPAC(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one
SMILESCOc1c2c(nn1C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N
InChIInChI=1S/C22H24FN7O2/c1-28-11-16-18(22(32-3)29(2)27-16)15-10-25-19(24)20(26-15)30-8-4-5-17(30)14-9-12(23)6-7-13(14)21(28)31/h6-7,9-10,17H,4-5,8,11H2,1-3H3,(H2,24,25)/t17-/m1/s1
InChIKeyMFBVCQMDQAJPBV-QGZVFWFLSA-N
MW437.48 g/mol
LogP2.53
Rot. Bonds1

About (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one

(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one (PubChem CID 162711003) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one.

Molecular Properties

Compound Name(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one
PubChem CID162711003
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one
SMILESCOc1c2c(nn1C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N
InChIInChI=1S/C22H24FN7O2/c1-28-11-16-18(22(32-3)29(2)27-16)15-10-25-19(24)20(26-15)30-8-4-5-17(30)14-9-12(23)6-7-13(14)21(28)31/h6-7,9-10,17H,4-5,8,11H2,1-3H3,(H2,24,25)/t17-/m1/s1
InChIKeyMFBVCQMDQAJPBV-QGZVFWFLSA-N
XLogP2.53
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one?
The IUPAC name of (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one (CID 162711003) is (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one.
What is the SMILES notation for (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one?
The canonical SMILES for (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one is COc1c2c(nn1C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.
What is the InChIKey of (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one?
The InChIKey is MFBVCQMDQAJPBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-28-11-16-18(22(32-3)29(2)27-16)15-10-25-19(24)20(26-15)30-8-4-5-17(30)14-9-12(23)6-7-13(14)21(28)31/h6-7,9-10,17H,4-5,8,11H2,1-3H3,(H2,24,25)/t17-/m1/s1.
What are the key properties of (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one?
(6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one has a molecular weight of 437.48 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-24-amino-9-fluoro-19-methoxy-14,18-dimethyl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-13-one is sourced from PubChem (CID 162711003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).