CID 160787528

C21H28FN3O3 — CID 160787528

IUPAC—
SMILESCCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCC(OC(C)F)CC1)C2
InChIInChI=1S/C21H28FN3O3/c1-4-27-16-6-5-14-12-20(9-7-15(8-10-20)28-13(2)22)21(17(14)11-16)18(26)25(3)19(23)24-21/h5-6,11,13,15H,4,7-10,12H2,1-3H3,(H2,23,24)
InChIKeyYDKDBMRTPKAKON-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.88
Rot. Bonds4

About CID 160787528

CID 160787528 (PubChem CID 160787528) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol.

Molecular Properties

Compound NameCID 160787528
PubChem CID160787528
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name—
SMILESCCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCC(OC(C)F)CC1)C2
InChIInChI=1S/C21H28FN3O3/c1-4-27-16-6-5-14-12-20(9-7-15(8-10-20)28-13(2)22)21(17(14)11-16)18(26)25(3)19(23)24-21/h5-6,11,13,15H,4,7-10,12H2,1-3H3,(H2,23,24)
InChIKeyYDKDBMRTPKAKON-UHFFFAOYSA-N
XLogP2.88
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 160787528?
The IUPAC name of CID 160787528 (CID 160787528) is not available.
What is the SMILES notation for CID 160787528?
The canonical SMILES for CID 160787528 is CCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCC(OC(C)F)CC1)C2.
What is the InChIKey of CID 160787528?
The InChIKey is YDKDBMRTPKAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-4-27-16-6-5-14-12-20(9-7-15(8-10-20)28-13(2)22)21(17(14)11-16)18(26)25(3)19(23)24-21/h5-6,11,13,15H,4,7-10,12H2,1-3H3,(H2,23,24).
What are the key properties of CID 160787528?
CID 160787528 has a molecular weight of 389.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160787528 is sourced from PubChem (CID 160787528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).