(11R)-20-methoxy-15-[(2-phenylpyrazol-3-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

C31H37N7O4 — CID 135087979

IUPAC(11R)-20-methoxy-15-[(2-phenylpyrazol-3-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(Cc1ccnn1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C31H37N7O4/c1-22(2)29-31(40)33-14-16-37-15-13-32-30(37)23-9-10-26(41-3)27(19-23)42-18-17-36(21-28(39)35-29)20-25-11-12-34-38(25)24-7-5-4-6-8-24/h4-13,15,19,22,29H,14,16-18,20-21H2,1-3H3,(H,33,40)(H,35,39)/t29-/m1/s1
InChIKeyZFSFQBIIFRFUNF-GDLZYMKVSA-N
MW571.68 g/mol
LogP2.90
Rot. Bonds5

About (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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-[(2-phenylpyrazol-3-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 135087979) has the molecular formula C31H37N7O4 and a molecular weight of 571.68 g/mol. Its IUPAC name is (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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-[(2-phenylpyrazol-3-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 CID135087979
Molecular FormulaC31H37N7O4
Molecular Weight571.68 g/mol
Exact Mass571.29
IUPAC Name(11R)-20-methoxy-15-[(2-phenylpyrazol-3-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(Cc1ccnn1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C31H37N7O4/c1-22(2)29-31(40)33-14-16-37-15-13-32-30(37)23-9-10-26(41-3)27(19-23)42-18-17-36(21-28(39)35-29)20-25-11-12-34-38(25)24-7-5-4-6-8-24/h4-13,15,19,22,29H,14,16-18,20-21H2,1-3H3,(H,33,40)(H,35,39)/t29-/m1/s1
InChIKeyZFSFQBIIFRFUNF-GDLZYMKVSA-N
XLogP2.90
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.68
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Unii-XX8E5WP7FS
CID 118009787
4-Aminopyrazole quinazoline, 6
CID 11249657
4-Aminopyrazole quinazoline, 5
CID 11330284
4-Aminopyrazole quinazoline, 3
CID 25138093
(Z)-3-[3-(3-Benzyloxy-phenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-yl-propyl)-acrylamide
CID 7010816
(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 135217174
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217226
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 135217271
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217280
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]hexanamide
CID 135217295
3-(3-Methoxy-4-((6-methoxypyridin-3-yl)methoxy)benzyl)-6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine
CID 118009797
3-[[3-Methoxy-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 118009798

Frequently Asked Questions

What is the IUPAC name of (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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-[(2-phenylpyrazol-3-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 135087979) is (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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-[(2-phenylpyrazol-3-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-[(2-phenylpyrazol-3-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(Cc1ccnn1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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 ZFSFQBIIFRFUNF-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H37N7O4/c1-22(2)29-31(40)33-14-16-37-15-13-32-30(37)23-9-10-26(41-3)27(19-23)42-18-17-36(21-28(39)35-29)20-25-11-12-34-38(25)24-7-5-4-6-8-24/h4-13,15,19,22,29H,14,16-18,20-21H2,1-3H3,(H,33,40)(H,35,39)/t29-/m1/s1.
What are the key properties of (11R)-20-methoxy-15-[(2-phenylpyrazol-3-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-[(2-phenylpyrazol-3-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 571.68 g/mol, XLogP of 2.90, 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-[(2-phenylpyrazol-3-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 135087979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).