15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene

C23H18N6O — CID 169216312

IUPAC15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene
SMILESCOc1ccc2c(c1)-c1[nH]ncc1Cc1c(-c3cnn(-c4ccccc4)c3)ncn1-2
InChIInChI=1S/C23H18N6O/c1-30-18-7-8-20-19(10-18)22-15(11-25-27-22)9-21-23(24-14-28(20)21)16-12-26-29(13-16)17-5-3-2-4-6-17/h2-8,10-14H,9H2,1H3,(H,25,27)
InChIKeyRGFXGTWEULRJIS-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.03
Rot. Bonds3

About 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene

15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene (PubChem CID 169216312) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene.

Molecular Properties

Compound Name15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene
PubChem CID169216312
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene
SMILESCOc1ccc2c(c1)-c1[nH]ncc1Cc1c(-c3cnn(-c4ccccc4)c3)ncn1-2
InChIInChI=1S/C23H18N6O/c1-30-18-7-8-20-19(10-18)22-15(11-25-27-22)9-21-23(24-14-28(20)21)16-12-26-29(13-16)17-5-3-2-4-6-17/h2-8,10-14H,9H2,1H3,(H,25,27)
InChIKeyRGFXGTWEULRJIS-UHFFFAOYSA-N
XLogP4.03
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene with MolForge

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Related Compounds

2-(15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 170951384
(4R)-4-cyclohexa-2,4-dien-1-yl-2-(15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-4,5-dihydro-1,3-oxazole
CID 170951395
4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole
CID 169216446
16-methoxy-9-(1-phenyltriazol-4-yl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaene
CID 146366788
2-[15-methoxy-11-[(4-methoxyphenyl)methyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl]-5-methyl-1,3-oxazole
CID 170951403
5-(10-benzyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-3-tert-butyl-1,2,4-oxadiazole
CID 170951458
3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
CID 170951529
4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole
CID 146150677
7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
CID 11608814
5-(methoxymethyl)-3-(15-methoxy-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-1,2,4-oxadiazole
CID 169216493
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
(3E)-6-methoxy-3-[(1-phenylpyrazol-4-yl)methylidene]chromen-4-one
CID 31765869

Frequently Asked Questions

What is the IUPAC name of 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene?
The IUPAC name of 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene (CID 169216312) is 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene.
What is the SMILES notation for 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene?
The canonical SMILES for 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene is COc1ccc2c(c1)-c1[nH]ncc1Cc1c(-c3cnn(-c4ccccc4)c3)ncn1-2.
What is the InChIKey of 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene?
The InChIKey is RGFXGTWEULRJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-30-18-7-8-20-19(10-18)22-15(11-25-27-22)9-21-23(24-14-28(20)21)16-12-26-29(13-16)17-5-3-2-4-6-17/h2-8,10-14H,9H2,1H3,(H,25,27).
What are the key properties of 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene?
15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene has a molecular weight of 394.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene is sourced from PubChem (CID 169216312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).