(11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

C31H41N7O5 — CID 135090503

IUPAC(11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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)CCc1n[nH]c3c1CCCC3)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C31H41N7O5/c1-20(2)29-31(41)33-13-15-37-14-12-32-30(37)21-8-10-25(42-3)26(18-21)43-17-16-38(19-27(39)34-29)28(40)11-9-24-22-6-4-5-7-23(22)35-36-24/h8,10,12,14,18,20,29H,4-7,9,11,13,15-17,19H2,1-3H3,(H,33,41)(H,34,39)(H,35,36)/t29-/m1/s1
InChIKeyBWFYRCGRAUKMRX-GDLZYMKVSA-N
MW591.71 g/mol
LogP2.27
Rot. Bonds5

About (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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 135090503) has the molecular formula C31H41N7O5 and a molecular weight of 591.71 g/mol. Its IUPAC name is (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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 CID135090503
Molecular FormulaC31H41N7O5
Molecular Weight591.71 g/mol
Exact Mass591.32
IUPAC Name(11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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)CCc1n[nH]c3c1CCCC3)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C31H41N7O5/c1-20(2)29-31(41)33-13-15-37-14-12-32-30(37)21-8-10-25(42-3)26(18-21)43-17-16-38(19-27(39)34-29)28(40)11-9-24-22-6-4-5-7-23(22)35-36-24/h8,10,12,14,18,20,29H,4-7,9,11,13,15-17,19H2,1-3H3,(H,33,41)(H,34,39)(H,35,36)/t29-/m1/s1
InChIKeyBWFYRCGRAUKMRX-GDLZYMKVSA-N
XLogP2.27
TPSA143.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.71
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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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(11R)-15-[3-(3,4-difluorophenyl)propanoyl]-11-isopropyl-20-methoxy-18-oxa-3,6,9,12,15-pentaazatricyclo[17.3.1.0~2,6~]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
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N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-10-methoxy-N-methyl-14-oxo-12-oxa-2,5,15-triazatetracyclo[15.3.1.1~7,11~.0~2,6~]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide formate
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(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-fluorobenzyl]-11-isobutyl-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.0~2,6~]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 156584837
(11R)-15-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-11-isobutyl-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.0~2,6~]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
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(12R)-16-[3-(5-fluoro-1H-benzimidazol-2-yl)propanoyl]-12-isopropyl-22-methoxy-20-oxa-3,6,10,13,16-pentaazatricyclo[19.3.1.0~2,6~]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
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CID 49675476

Frequently Asked Questions

What is the IUPAC name of (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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 135090503) is (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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)CCc1n[nH]c3c1CCCC3)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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 BWFYRCGRAUKMRX-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H41N7O5/c1-20(2)29-31(41)33-13-15-37-14-12-32-30(37)21-8-10-25(42-3)26(18-21)43-17-16-38(19-27(39)34-29)28(40)11-9-24-22-6-4-5-7-23(22)35-36-24/h8,10,12,14,18,20,29H,4-7,9,11,13,15-17,19H2,1-3H3,(H,33,41)(H,34,39)(H,35,36)/t29-/m1/s1.
What are the key properties of (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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 591.71 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-20-methoxy-11-propan-2-yl-15-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-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 135090503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).