CID 166460764

C23H27N7O3 — CID 166460764

IUPAC—
SMILESCc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CNC2
InChIInChI=1S/C23H27N7O3/c1-13-8-15(27-16-9-17(26-12-25-16)28-19(31)14-2-3-14)21(33)30-18(13)20(32)29-23(30)6-4-22(5-7-23)10-24-11-22/h8-9,12,14,24H,2-7,10-11H2,1H3,(H,29,32)(H2,25,26,27,28,31)
InChIKeyUURPRFWHCGCEMR-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.60
Rot. Bonds4

About CID 166460764

CID 166460764 (PubChem CID 166460764) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol.

Molecular Properties

Compound NameCID 166460764
PubChem CID166460764
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name—
SMILESCc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CNC2
InChIInChI=1S/C23H27N7O3/c1-13-8-15(27-16-9-17(26-12-25-16)28-19(31)14-2-3-14)21(33)30-18(13)20(32)29-23(30)6-4-22(5-7-23)10-24-11-22/h8-9,12,14,24H,2-7,10-11H2,1H3,(H,29,32)(H2,25,26,27,28,31)
InChIKeyUURPRFWHCGCEMR-UHFFFAOYSA-N
XLogP1.60
TPSA130.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 166460764?
The IUPAC name of CID 166460764 (CID 166460764) is not available.
What is the SMILES notation for CID 166460764?
The canonical SMILES for CID 166460764 is Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CNC2.
What is the InChIKey of CID 166460764?
The InChIKey is UURPRFWHCGCEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-13-8-15(27-16-9-17(26-12-25-16)28-19(31)14-2-3-14)21(33)30-18(13)20(32)29-23(30)6-4-22(5-7-23)10-24-11-22/h8-9,12,14,24H,2-7,10-11H2,1H3,(H,29,32)(H2,25,26,27,28,31).
What are the key properties of CID 166460764?
CID 166460764 has a molecular weight of 449.52 g/mol, XLogP of 1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460764 is sourced from PubChem (CID 166460764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).