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

C30H35N7O4S — CID 157019144

IUPAC(11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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]c2-c2cccs2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C30H35N7O4S/c1-20(2)16-24-29(39)32-10-13-36-12-9-31-28(36)21-6-3-7-22(17-21)41-14-5-11-37(19-26(38)34-24)30(40)23-18-33-35-27(23)25-8-4-15-42-25/h3-4,6-9,12,15,17-18,20,24H,5,10-11,13-14,16,19H2,1-2H3,(H,32,39)(H,33,35)(H,34,38)/t24-/m1/s1
InChIKeyFQWJMLPUZIIBNP-XMMPIXPASA-N
MW589.72 g/mol
LogP3.57
Rot. Bonds4

About (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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 157019144) has the molecular formula C30H35N7O4S and a molecular weight of 589.72 g/mol. Its IUPAC name is (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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 CID157019144
Molecular FormulaC30H35N7O4S
Molecular Weight589.72 g/mol
Exact Mass589.25
IUPAC Name(11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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]c2-c2cccs2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C30H35N7O4S/c1-20(2)16-24-29(39)32-10-13-36-12-9-31-28(36)21-6-3-7-22(17-21)41-14-5-11-37(19-26(38)34-24)30(40)23-18-33-35-27(23)25-8-4-15-42-25/h3-4,6-9,12,15,17-18,20,24H,5,10-11,13-14,16,19H2,1-2H3,(H,32,39)(H,33,35)(H,34,38)/t24-/m1/s1
InChIKeyFQWJMLPUZIIBNP-XMMPIXPASA-N
XLogP3.57
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.72
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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 157019144) is (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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]c2-c2cccs2)CCCOc2cccc(c2)-c2nccn2CCNC1=O.
What is the InChIKey of (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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 FQWJMLPUZIIBNP-XMMPIXPASA-N. The full InChI is InChI=1S/C30H35N7O4S/c1-20(2)16-24-29(39)32-10-13-36-12-9-31-28(36)21-6-3-7-22(17-21)41-14-5-11-37(19-26(38)34-24)30(40)23-18-33-35-27(23)25-8-4-15-42-25/h3-4,6-9,12,15,17-18,20,24H,5,10-11,13-14,16,19H2,1-2H3,(H,32,39)(H,33,35)(H,34,38)/t24-/m1/s1.
What are the key properties of (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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 589.72 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-(2-methylpropyl)-15-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-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 157019144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).