CID 91091141

C27H29N3O3 — CID 91091141

IUPAC—
SMILESCCC(C)C1=NC2(CC3(CCCOC3)Oc3ccc(-c4cccc(C#N)c4)cc32)C(=O)N1C
InChIInChI=1S/C27H29N3O3/c1-4-18(2)24-29-27(25(31)30(24)3)16-26(11-6-12-32-17-26)33-23-10-9-21(14-22(23)27)20-8-5-7-19(13-20)15-28/h5,7-10,13-14,18H,4,6,11-12,16-17H2,1-3H3
InChIKeyDYSLCQYBTYPSJG-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.67
Rot. Bonds3

About CID 91091141

CID 91091141 (PubChem CID 91091141) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol.

Molecular Properties

Compound NameCID 91091141
PubChem CID91091141
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name—
SMILESCCC(C)C1=NC2(CC3(CCCOC3)Oc3ccc(-c4cccc(C#N)c4)cc32)C(=O)N1C
InChIInChI=1S/C27H29N3O3/c1-4-18(2)24-29-27(25(31)30(24)3)16-26(11-6-12-32-17-26)33-23-10-9-21(14-22(23)27)20-8-5-7-19(13-20)15-28/h5,7-10,13-14,18H,4,6,11-12,16-17H2,1-3H3
InChIKeyDYSLCQYBTYPSJG-UHFFFAOYSA-N
XLogP4.67
TPSA74.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 91091141?
The IUPAC name of CID 91091141 (CID 91091141) is not available.
What is the SMILES notation for CID 91091141?
The canonical SMILES for CID 91091141 is CCC(C)C1=NC2(CC3(CCCOC3)Oc3ccc(-c4cccc(C#N)c4)cc32)C(=O)N1C.
What is the InChIKey of CID 91091141?
The InChIKey is DYSLCQYBTYPSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-18(2)24-29-27(25(31)30(24)3)16-26(11-6-12-32-17-26)33-23-10-9-21(14-22(23)27)20-8-5-7-19(13-20)15-28/h5,7-10,13-14,18H,4,6,11-12,16-17H2,1-3H3.
What are the key properties of CID 91091141?
CID 91091141 has a molecular weight of 443.55 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91091141 is sourced from PubChem (CID 91091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).