(11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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

C32H39N7O4 — CID 135097927

IUPAC(11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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(Cc1cn(C)nc1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C32H39N7O4/c1-22(2)29-32(41)34-13-15-39-14-12-33-31(39)24-10-11-26(42-4)27(18-24)43-17-16-38(21-28(40)35-29)20-25-19-37(3)36-30(25)23-8-6-5-7-9-23/h5-12,14,18-19,22,29H,13,15-17,20-21H2,1-4H3,(H,34,41)(H,35,40)/t29-/m1/s1
InChIKeyZWFJNTHUWZPRHF-GDLZYMKVSA-N
MW585.71 g/mol
LogP3.11
Rot. Bonds5

About (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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 135097927) has the molecular formula C32H39N7O4 and a molecular weight of 585.71 g/mol. Its IUPAC name is (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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 CID135097927
Molecular FormulaC32H39N7O4
Molecular Weight585.71 g/mol
Exact Mass585.31
IUPAC Name(11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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(Cc1cn(C)nc1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C32H39N7O4/c1-22(2)29-32(41)34-13-15-39-14-12-33-31(39)24-10-11-26(42-4)27(18-24)43-17-16-38(21-28(40)35-29)20-25-19-37(3)36-30(25)23-8-6-5-7-9-23/h5-12,14,18-19,22,29H,13,15-17,20-21H2,1-4H3,(H,34,41)(H,35,40)/t29-/m1/s1
InChIKeyZWFJNTHUWZPRHF-GDLZYMKVSA-N
XLogP3.11
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.71
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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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N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
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N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
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US11274108, Example 1-15
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Frequently Asked Questions

What is the IUPAC name of (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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 135097927) is (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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(Cc1cn(C)nc1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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 ZWFJNTHUWZPRHF-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H39N7O4/c1-22(2)29-32(41)34-13-15-39-14-12-33-31(39)24-10-11-26(42-4)27(18-24)43-17-16-38(21-28(40)35-29)20-25-19-37(3)36-30(25)23-8-6-5-7-9-23/h5-12,14,18-19,22,29H,13,15-17,20-21H2,1-4H3,(H,34,41)(H,35,40)/t29-/m1/s1.
What are the key properties of (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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 585.71 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-20-methoxy-15-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-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 135097927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).