(11R)-15-[2-(2H-indazol-3-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

C30H35N7O5 — CID 135089249

IUPAC(11R)-15-[2-(2H-indazol-3-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)Cc1[nH]nc3ccccc13)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C30H35N7O5/c1-19(2)28-30(40)32-11-13-36-12-10-31-29(36)20-8-9-24(41-3)25(16-20)42-15-14-37(18-26(38)33-28)27(39)17-23-21-6-4-5-7-22(21)34-35-23/h4-10,12,16,19,28H,11,13-15,17-18H2,1-3H3,(H,32,40)(H,33,38)(H,34,35)/t28-/m1/s1
InChIKeyZFACXEPSXREWOD-MUUNZHRXSA-N
MW573.65 g/mol
LogP2.16
Rot. Bonds4

About (11R)-15-[2-(2H-indazol-3-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-(2H-indazol-3-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 135089249) has the molecular formula C30H35N7O5 and a molecular weight of 573.65 g/mol. Its IUPAC name is (11R)-15-[2-(2H-indazol-3-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-(2H-indazol-3-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 CID135089249
Molecular FormulaC30H35N7O5
Molecular Weight573.65 g/mol
Exact Mass573.27
IUPAC Name(11R)-15-[2-(2H-indazol-3-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)Cc1[nH]nc3ccccc13)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C30H35N7O5/c1-19(2)28-30(40)32-11-13-36-12-10-31-29(36)20-8-9-24(41-3)25(16-20)42-15-14-37(18-26(38)33-28)27(39)17-23-21-6-4-5-7-22(21)34-35-23/h4-10,12,16,19,28H,11,13-15,17-18H2,1-3H3,(H,32,40)(H,33,38)(H,34,35)/t28-/m1/s1
InChIKeyZFACXEPSXREWOD-MUUNZHRXSA-N
XLogP2.16
TPSA143.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (11R)-15-[2-(2H-indazol-3-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

(S)-3-(3,4-dimethoxyphenyl)-N-(1-(1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 91639151
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
CID 155910583
(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
CID 156585354
(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
CID 157013147
3-(3-fluorophenyl)-4-{2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 170513111
3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66858065
N-[2-(1H-benzimidazol-1-yl)ethyl]-5-(3,4-dimethoxyphenyl)-1H-pyrazole-3-carboxamide
CID 75490293
N-[cyclopropyl(phenyl)methyl]-3-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
CID 117738518
2-[4-[5-(1H-indazol-5-ylamino)-2-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139347982
N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide
CID 139348402
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365755

Frequently Asked Questions

What is the IUPAC name of (11R)-15-[2-(2H-indazol-3-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-(2H-indazol-3-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 135089249) is (11R)-15-[2-(2H-indazol-3-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-(2H-indazol-3-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-(2H-indazol-3-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)Cc1[nH]nc3ccccc13)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-15-[2-(2H-indazol-3-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 ZFACXEPSXREWOD-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H35N7O5/c1-19(2)28-30(40)32-11-13-36-12-10-31-29(36)20-8-9-24(41-3)25(16-20)42-15-14-37(18-26(38)33-28)27(39)17-23-21-6-4-5-7-22(21)34-35-23/h4-10,12,16,19,28H,11,13-15,17-18H2,1-3H3,(H,32,40)(H,33,38)(H,34,35)/t28-/m1/s1.
What are the key properties of (11R)-15-[2-(2H-indazol-3-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-(2H-indazol-3-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 573.65 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-[2-(2H-indazol-3-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 135089249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).