15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 153284391

IUPAC15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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
SMILESCc1c(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cnn1C
InChIInChI=1S/C23H22FN7O2/c1-14-17(12-26-30(14)2)15-10-16-20(11-18(15)24)33-9-4-3-8-31-13-25-29-22(31)19-6-5-7-21(27-19)28-23(16)32/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,27,28,32)
InChIKeyKYKAQNIOCNGTII-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.61
Rot. Bonds1

About 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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

15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 153284391) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 Name15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 CID153284391
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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
SMILESCc1c(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cnn1C
InChIInChI=1S/C23H22FN7O2/c1-14-17(12-26-30(14)2)15-10-16-20(11-18(15)24)33-9-4-3-8-31-13-25-29-22(31)19-6-5-7-21(27-19)28-23(16)32/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,27,28,32)
InChIKeyKYKAQNIOCNGTII-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 153284391) is 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 Cc1c(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cnn1C.
What is the InChIKey of 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 KYKAQNIOCNGTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-14-17(12-26-30(14)2)15-10-16-20(11-18(15)24)33-9-4-3-8-31-13-25-29-22(31)19-6-5-7-21(27-19)28-23(16)32/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,27,28,32).
What are the key properties of 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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?
15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1,5-dimethylpyrazol-4-yl)-14-fluoro-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 153284391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).