(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

C28H37N7O5 — CID 135095194

IUPAC(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)Cc1c(C)n[nH]c1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C28H37N7O5/c1-17(2)26-28(38)30-9-11-34-10-8-29-27(34)20-6-7-22(39-5)23(14-20)40-13-12-35(16-24(36)31-26)25(37)15-21-18(3)32-33-19(21)4/h6-8,10,14,17,26H,9,11-13,15-16H2,1-5H3,(H,30,38)(H,31,36)(H,32,33)/t26-/m1/s1
InChIKeyNQXWQPILQIGSDG-AREMUKBSSA-N
MW551.65 g/mol
LogP1.62
Rot. Bonds4

About (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (PubChem CID 135095194) has the molecular formula C28H37N7O5 and a molecular weight of 551.65 g/mol. Its IUPAC name is (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
PubChem CID135095194
Molecular FormulaC28H37N7O5
Molecular Weight551.65 g/mol
Exact Mass551.29
IUPAC Name(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)Cc1c(C)n[nH]c1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C28H37N7O5/c1-17(2)26-28(38)30-9-11-34-10-8-29-27(34)20-6-7-22(39-5)23(14-20)40-13-12-35(16-24(36)31-26)25(37)15-21-18(3)32-33-19(21)4/h6-8,10,14,17,26H,9,11-13,15-16H2,1-5H3,(H,30,38)(H,31,36)(H,32,33)/t26-/m1/s1
InChIKeyNQXWQPILQIGSDG-AREMUKBSSA-N
XLogP1.62
TPSA143.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.65
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-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-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The IUPAC name of (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (CID 135095194) is (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.
What is the SMILES notation for (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The canonical SMILES for (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is COc1ccc2cc1OCCN(C(=O)Cc1c(C)n[nH]c1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The InChIKey is NQXWQPILQIGSDG-AREMUKBSSA-N. The full InChI is InChI=1S/C28H37N7O5/c1-17(2)26-28(38)30-9-11-34-10-8-29-27(34)20-6-7-22(39-5)23(14-20)40-13-12-35(16-24(36)31-26)25(37)15-21-18(3)32-33-19(21)4/h6-8,10,14,17,26H,9,11-13,15-16H2,1-5H3,(H,30,38)(H,31,36)(H,32,33)/t26-/m1/s1.
What are the key properties of (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione has a molecular weight of 551.65 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is sourced from PubChem (CID 135095194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).