(6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one

C19H21FN6O2 — CID 154966393

IUPAC(6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one
SMILESNc1nn2ccc3nc2c1C(=O)NCCOC1=CC=C(F)CC1[C@H]1CCCN31
InChIInChI=1S/C19H21FN6O2/c20-11-3-4-14-12(10-11)13-2-1-7-25(13)15-5-8-26-18(23-15)16(17(21)24-26)19(27)22-6-9-28-14/h3-5,8,12-13H,1-2,6-7,9-10H2,(H2,21,24)(H,22,27)/t12?,13-/m1/s1
InChIKeyHNVKUFVDXBTXHB-ZGTCLIOFSA-N
MW384.42 g/mol
LogP1.80
Rot. Bonds

About (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one

(6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one (PubChem CID 154966393) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one.

Molecular Properties

Compound Name(6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one
PubChem CID154966393
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name(6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one
SMILESNc1nn2ccc3nc2c1C(=O)NCCOC1=CC=C(F)CC1[C@H]1CCCN31
InChIInChI=1S/C19H21FN6O2/c20-11-3-4-14-12(10-11)13-2-1-7-25(13)15-5-8-26-18(23-15)16(17(21)24-26)19(27)22-6-9-28-14/h3-5,8,12-13H,1-2,6-7,9-10H2,(H2,21,24)(H,22,27)/t12?,13-/m1/s1
InChIKeyHNVKUFVDXBTXHB-ZGTCLIOFSA-N
XLogP1.80
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one?
The IUPAC name of (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one (CID 154966393) is (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one.
What is the SMILES notation for (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one?
The canonical SMILES for (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one is Nc1nn2ccc3nc2c1C(=O)NCCOC1=CC=C(F)CC1[C@H]1CCCN31.
What is the InChIKey of (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one?
The InChIKey is HNVKUFVDXBTXHB-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H21FN6O2/c20-11-3-4-14-12(10-11)13-2-1-7-25(13)15-5-8-26-18(23-15)16(17(21)24-26)19(27)22-6-9-28-14/h3-5,8,12-13H,1-2,6-7,9-10H2,(H2,21,24)(H,22,27)/t12?,13-/m1/s1.
What are the key properties of (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one?
(6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one has a molecular weight of 384.42 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-19-amino-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),9,11,18(25),19,22-hexaen-17-one is sourced from PubChem (CID 154966393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).