(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one

C21H23FN8O — CID 162710940

IUPAC(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one
SMILESCc1c2c(nn1C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1nc-2nnc1N
InChIInChI=1S/C21H23FN8O/c1-11-17-15(27-29(11)3)10-28(2)21(31)13-7-6-12(22)9-14(13)16-5-4-8-30(16)20-18(23)25-26-19(17)24-20/h6-7,9,16H,4-5,8,10H2,1-3H3,(H2,23,25)/t16-/m1/s1
InChIKeyAIJXVRCNNOSOMS-MRXNPFEDSA-N
MW422.47 g/mol
LogP2.23
Rot. Bonds

About (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one

(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one (PubChem CID 162710940) has the molecular formula C21H23FN8O and a molecular weight of 422.47 g/mol. Its IUPAC name is (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one.

Molecular Properties

Compound Name(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one
PubChem CID162710940
Molecular FormulaC21H23FN8O
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC Name(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one
SMILESCc1c2c(nn1C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1nc-2nnc1N
InChIInChI=1S/C21H23FN8O/c1-11-17-15(27-29(11)3)10-28(2)21(31)13-7-6-12(22)9-14(13)16-5-4-8-30(16)20-18(23)25-26-19(17)24-20/h6-7,9,16H,4-5,8,10H2,1-3H3,(H2,23,25)/t16-/m1/s1
InChIKeyAIJXVRCNNOSOMS-MRXNPFEDSA-N
XLogP2.23
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(16S)-23-amino-13-fluoro-3,4,8-trimethyl-18-oxa-4,5,8,21,24,25,26-heptazapentacyclo[20.3.1.02,6.010,15.016,21]hexacosa-1(26),2,5,10(15),11,13,22,24-octaen-9-one
CID 162710987
(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
(6R)-24-amino-9-fluoro-14,18-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile
CID 146477023
(16S)-23-amino-13-fluoro-3-methoxy-4,8-dimethyl-18-oxa-4,5,8,21,24,26-hexazapentacyclo[20.3.1.02,6.010,15.016,21]hexacosa-1(25),2,5,10(15),11,13,22(26),23-octaen-9-one
CID 162710986
(6R)-23-amino-9-fluoro-14,17-dimethyl-2,14,16,17,22-pentazapentacyclo[18.3.1.02,6.07,12.015,19]tetracosa-1(23),7(12),8,10,15,18,20(24),21-octaen-13-one
CID 167264822
(6R)-23-amino-9-fluoro-14,16-dimethyl-13-oxo-2,14,16,17,22-pentazapentacyclo[18.3.1.02,6.07,12.015,19]tetracosa-1(23),7(12),8,10,15(19),17,20(24),21-octaene-18-carbonitrile
CID 167264193
(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
CID 162710923
18-amino-16-butyl-13-fluoro-4,8-dimethyl-9-oxo-4,5,8,16,19,21-hexazatetracyclo[15.3.1.02,6.010,15]henicosa-1(20),2,5,10(15),11,13,17(21),18-octaene-3-carbonitrile
CID 146477006
(16S)-23-amino-13-fluoro-4,8-dimethyl-18-oxa-4,5,8,21,24-pentazapentacyclo[20.3.1.02,6.010,15.016,21]hexacosa-1(26),2,5,10(15),11,13,22,24-octaen-9-one
CID 162710960
19-amino-13-fluoro-8,16-dimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
CID 123486918
(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
CID 163691128
(3S)-7-[9-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethylamino]-9-oxononoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 167264415

Frequently Asked Questions

What is the IUPAC name of (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one?
The IUPAC name of (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one (CID 162710940) is (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one.
What is the SMILES notation for (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one?
The canonical SMILES for (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one is Cc1c2c(nn1C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1nc-2nnc1N.
What is the InChIKey of (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one?
The InChIKey is AIJXVRCNNOSOMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23FN8O/c1-11-17-15(27-29(11)3)10-28(2)21(31)13-7-6-12(22)9-14(13)16-5-4-8-30(16)20-18(23)25-26-19(17)24-20/h6-7,9,16H,4-5,8,10H2,1-3H3,(H2,23,25)/t16-/m1/s1.
What are the key properties of (6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one?
(6R)-24-amino-9-fluoro-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one has a molecular weight of 422.47 g/mol, XLogP of 2.23, 0 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-14,18,19-trimethyl-2,14,17,18,22,23,25-heptazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one is sourced from PubChem (CID 162710940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).