(11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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

C32H43N7O4 — CID 157015107

IUPAC(11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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(C(=O)c2cn[nH]c2C2CCCCC2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C32H43N7O4/c1-22(2)18-27-31(41)34-13-16-38-15-12-33-30(38)24-10-6-11-25(19-24)43-17-7-14-39(21-28(40)36-27)32(42)26-20-35-37-29(26)23-8-4-3-5-9-23/h6,10-12,15,19-20,22-23,27H,3-5,7-9,13-14,16-18,21H2,1-2H3,(H,34,41)(H,35,37)(H,36,40)/t27-/m1/s1
InChIKeyMKPRQXNLCDZHRD-HHHXNRCGSA-N
MW589.74 g/mol
LogP3.89
Rot. Bonds4

About (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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 157015107) has the molecular formula C32H43N7O4 and a molecular weight of 589.74 g/mol. Its IUPAC name is (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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 CID157015107
Molecular FormulaC32H43N7O4
Molecular Weight589.74 g/mol
Exact Mass589.34
IUPAC Name(11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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(C(=O)c2cn[nH]c2C2CCCCC2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C32H43N7O4/c1-22(2)18-27-31(41)34-13-16-38-15-12-33-30(38)24-10-6-11-25(19-24)43-17-7-14-39(21-28(40)36-27)32(42)26-20-35-37-29(26)23-8-4-3-5-9-23/h6,10-12,15,19-20,22-23,27H,3-5,7-9,13-14,16-18,21H2,1-2H3,(H,34,41)(H,35,37)(H,36,40)/t27-/m1/s1
InChIKeyMKPRQXNLCDZHRD-HHHXNRCGSA-N
XLogP3.89
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.74
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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 157015107) is (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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(C(=O)c2cn[nH]c2C2CCCCC2)CCCOc2cccc(c2)-c2nccn2CCNC1=O.
What is the InChIKey of (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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 MKPRQXNLCDZHRD-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H43N7O4/c1-22(2)18-27-31(41)34-13-16-38-15-12-33-30(38)24-10-6-11-25(19-24)43-17-7-14-39(21-28(40)36-27)32(42)26-20-35-37-29(26)23-8-4-3-5-9-23/h6,10-12,15,19-20,22-23,27H,3-5,7-9,13-14,16-18,21H2,1-2H3,(H,34,41)(H,35,37)(H,36,40)/t27-/m1/s1.
What are the key properties of (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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-cyclohexyl-1H-pyrazole-4-carbonyl)-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 589.74 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-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 157015107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).