(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C23H22FN7O2 — CID 142412060

IUPAC(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2cc(F)c(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C23H22FN7O2/c1-14-5-4-8-33-20-10-18(24)16(15-11-26-30(2)12-15)9-17(20)23(32)28-21-7-3-6-19(27-21)22-29-25-13-31(14)22/h3,6-7,9-14H,4-5,8H2,1-2H3,(H,27,28,32)/t14-/m0/s1
InChIKeyIPOSDPMJCSQVRH-AWEZNQCLSA-N
MW447.47 g/mol
LogP3.87
Rot. Bonds1

About (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 142412060) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID142412060
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2cc(F)c(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C23H22FN7O2/c1-14-5-4-8-33-20-10-18(24)16(15-11-26-30(2)12-15)9-17(20)23(32)28-21-7-3-6-19(27-21)22-29-25-13-31(14)22/h3,6-7,9-14H,4-5,8H2,1-2H3,(H,27,28,32)/t14-/m0/s1
InChIKeyIPOSDPMJCSQVRH-AWEZNQCLSA-N
XLogP3.87
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 142412060) is (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is C[C@H]1CCCOc2cc(F)c(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is IPOSDPMJCSQVRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-14-5-4-8-33-20-10-18(24)16(15-11-26-30(2)12-15)9-17(20)23(32)28-21-7-3-6-19(27-21)22-29-25-13-31(14)22/h3,6-7,9-14H,4-5,8H2,1-2H3,(H,27,28,32)/t14-/m0/s1.
What are the key properties of (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 447.47 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 142412060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).