CID 155567005

C27H30FN6O4 — CID 155567005

IUPAC—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)O)cc4)ncc3F)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C27H30FN6O4/c1-26(2)13-20(14-27(3,4)34(26)38)31-23(35)16-5-9-18(10-6-16)30-22-21(28)15-29-25(33-22)32-19-11-7-17(8-12-19)24(36)37/h5-12,15,20H,13-14H2,1-4H3,(H,31,35)(H,36,37)(H2,29,30,32,33)
InChIKeyNEJVLCHWXRBQHF-UHFFFAOYSA-N
MW521.57 g/mol
LogP4.90
Rot. Bonds7

About CID 155567005

CID 155567005 (PubChem CID 155567005) has the molecular formula C27H30FN6O4 and a molecular weight of 521.57 g/mol.

Molecular Properties

Compound NameCID 155567005
PubChem CID155567005
Molecular FormulaC27H30FN6O4
Molecular Weight521.57 g/mol
Exact Mass521.23
IUPAC Name—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)O)cc4)ncc3F)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C27H30FN6O4/c1-26(2)13-20(14-27(3,4)34(26)38)31-23(35)16-5-9-18(10-6-16)30-22-21(28)15-29-25(33-22)32-19-11-7-17(8-12-19)24(36)37/h5-12,15,20H,13-14H2,1-4H3,(H,31,35)(H,36,37)(H2,29,30,32,33)
InChIKeyNEJVLCHWXRBQHF-UHFFFAOYSA-N
XLogP4.90
TPSA139.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 155567005?
The IUPAC name of CID 155567005 (CID 155567005) is not available.
What is the SMILES notation for CID 155567005?
The canonical SMILES for CID 155567005 is CC1(C)CC(NC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)O)cc4)ncc3F)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 155567005?
The InChIKey is NEJVLCHWXRBQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN6O4/c1-26(2)13-20(14-27(3,4)34(26)38)31-23(35)16-5-9-18(10-6-16)30-22-21(28)15-29-25(33-22)32-19-11-7-17(8-12-19)24(36)37/h5-12,15,20H,13-14H2,1-4H3,(H,31,35)(H,36,37)(H2,29,30,32,33).
What are the key properties of CID 155567005?
CID 155567005 has a molecular weight of 521.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155567005 is sourced from PubChem (CID 155567005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).