(11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

C32H38FN7O3 — CID 156585354

IUPAC(11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(Cc2cn[nH]c2-c2cccc(F)c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C32H38FN7O3/c1-22(2)16-28-32(42)35-11-14-40-13-10-34-31(40)24-7-4-9-27(18-24)43-15-5-12-39(21-29(41)37-28)20-25-19-36-38-30(25)23-6-3-8-26(33)17-23/h3-4,6-10,13,17-19,22,28H,5,11-12,14-16,20-21H2,1-2H3,(H,35,42)(H,36,38)(H,37,41)/t28-/m1/s1
InChIKeyCWLRJQBOSUSAOM-MUUNZHRXSA-N
MW587.70 g/mol
LogP4.01
Rot. Bonds5

About (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

(11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (PubChem CID 156585354) has the molecular formula C32H38FN7O3 and a molecular weight of 587.70 g/mol. Its IUPAC name is (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
PubChem CID156585354
Molecular FormulaC32H38FN7O3
Molecular Weight587.70 g/mol
Exact Mass587.30
IUPAC Name(11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(Cc2cn[nH]c2-c2cccc(F)c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C32H38FN7O3/c1-22(2)16-28-32(42)35-11-14-40-13-10-34-31(40)24-7-4-9-27(18-24)43-15-5-12-39(21-29(41)37-28)20-25-19-36-38-30(25)23-6-3-8-26(33)17-23/h3-4,6-10,13,17-19,22,28H,5,11-12,14-16,20-21H2,1-2H3,(H,35,42)(H,36,38)(H,37,41)/t28-/m1/s1
InChIKeyCWLRJQBOSUSAOM-MUUNZHRXSA-N
XLogP4.01
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.70
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The IUPAC name of (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (CID 156585354) is (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.
What is the SMILES notation for (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The canonical SMILES for (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is CC(C)C[C@H]1NC(=O)CN(Cc2cn[nH]c2-c2cccc(F)c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O.
What is the InChIKey of (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The InChIKey is CWLRJQBOSUSAOM-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H38FN7O3/c1-22(2)16-28-32(42)35-11-14-40-13-10-34-31(40)24-7-4-9-27(18-24)43-15-5-12-39(21-29(41)37-28)20-25-19-36-38-30(25)23-6-3-8-26(33)17-23/h3-4,6-10,13,17-19,22,28H,5,11-12,14-16,20-21H2,1-2H3,(H,35,42)(H,36,38)(H,37,41)/t28-/m1/s1.
What are the key properties of (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
(11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione has a molecular weight of 587.70 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is sourced from PubChem (CID 156585354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).