(11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

C26H33N7O4 — CID 157017633

IUPAC(11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(C(=O)c2cn[nH]c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C26H33N7O4/c1-18(2)13-22-25(35)28-8-11-32-10-7-27-24(32)19-5-3-6-21(14-19)37-12-4-9-33(17-23(34)31-22)26(36)20-15-29-30-16-20/h3,5-7,10,14-16,18,22H,4,8-9,11-13,17H2,1-2H3,(H,28,35)(H,29,30)(H,31,34)/t22-/m1/s1
InChIKeyPUZIZZHGJNDFQT-JOCHJYFZSA-N
MW507.60 g/mol
LogP1.85
Rot. Bonds3

About (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

(11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (PubChem CID 157017633) has the molecular formula C26H33N7O4 and a molecular weight of 507.60 g/mol. Its IUPAC name is (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
PubChem CID157017633
Molecular FormulaC26H33N7O4
Molecular Weight507.60 g/mol
Exact Mass507.26
IUPAC Name(11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(C(=O)c2cn[nH]c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C26H33N7O4/c1-18(2)13-22-25(35)28-8-11-32-10-7-27-24(32)19-5-3-6-21(14-19)37-12-4-9-33(17-23(34)31-22)26(36)20-15-29-30-16-20/h3,5-7,10,14-16,18,22H,4,8-9,11-13,17H2,1-2H3,(H,28,35)(H,29,30)(H,31,34)/t22-/m1/s1
InChIKeyPUZIZZHGJNDFQT-JOCHJYFZSA-N
XLogP1.85
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione with MolForge

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Related Compounds

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5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1H-pyrazole-3-carboxamide
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[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
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CID 69665750
[3-cyclopropyl-2-[3-(1,1-difluoroethoxy)phenyl]-5-(1H-pyrazol-4-yl)imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The IUPAC name of (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (CID 157017633) is (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.
What is the SMILES notation for (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The canonical SMILES for (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is CC(C)C[C@H]1NC(=O)CN(C(=O)c2cn[nH]c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O.
What is the InChIKey of (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The InChIKey is PUZIZZHGJNDFQT-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H33N7O4/c1-18(2)13-22-25(35)28-8-11-32-10-7-27-24(32)19-5-3-6-21(14-19)37-12-4-9-33(17-23(34)31-22)26(36)20-15-29-30-16-20/h3,5-7,10,14-16,18,22H,4,8-9,11-13,17H2,1-2H3,(H,28,35)(H,29,30)(H,31,34)/t22-/m1/s1.
What are the key properties of (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
(11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione has a molecular weight of 507.60 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-(2-methylpropyl)-15-(1H-pyrazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is sourced from PubChem (CID 157017633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).