CID 158408137

C26H30FN3O3 — CID 158408137

IUPAC—
SMILESCc1ccc2c(c1)NC(=O)C21[C@@H](c2ccnc(C)c2F)[C@H](C(=O)O)NC12CCC(C)(C)CC2
InChIInChI=1S/C26H30FN3O3/c1-14-5-6-17-18(13-14)29-23(33)26(17)19(16-7-12-28-15(2)20(16)27)21(22(31)32)30-25(26)10-8-24(3,4)9-11-25/h5-7,12-13,19,21,30H,8-11H2,1-4H3,(H,29,33)(H,31,32)/t19-,21+,26?/m0/s1
InChIKeyGYYMTRPRBYLMSX-XDWHKTABSA-N
MW451.54 g/mol
LogP4.21
Rot. Bonds2

About CID 158408137

CID 158408137 (PubChem CID 158408137) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol.

Molecular Properties

Compound NameCID 158408137
PubChem CID158408137
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name—
SMILESCc1ccc2c(c1)NC(=O)C21[C@@H](c2ccnc(C)c2F)[C@H](C(=O)O)NC12CCC(C)(C)CC2
InChIInChI=1S/C26H30FN3O3/c1-14-5-6-17-18(13-14)29-23(33)26(17)19(16-7-12-28-15(2)20(16)27)21(22(31)32)30-25(26)10-8-24(3,4)9-11-25/h5-7,12-13,19,21,30H,8-11H2,1-4H3,(H,29,33)(H,31,32)/t19-,21+,26?/m0/s1
InChIKeyGYYMTRPRBYLMSX-XDWHKTABSA-N
XLogP4.21
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 158408137?
The IUPAC name of CID 158408137 (CID 158408137) is not available.
What is the SMILES notation for CID 158408137?
The canonical SMILES for CID 158408137 is Cc1ccc2c(c1)NC(=O)C21[C@@H](c2ccnc(C)c2F)[C@H](C(=O)O)NC12CCC(C)(C)CC2.
What is the InChIKey of CID 158408137?
The InChIKey is GYYMTRPRBYLMSX-XDWHKTABSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-14-5-6-17-18(13-14)29-23(33)26(17)19(16-7-12-28-15(2)20(16)27)21(22(31)32)30-25(26)10-8-24(3,4)9-11-25/h5-7,12-13,19,21,30H,8-11H2,1-4H3,(H,29,33)(H,31,32)/t19-,21+,26?/m0/s1.
What are the key properties of CID 158408137?
CID 158408137 has a molecular weight of 451.54 g/mol, XLogP of 4.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158408137 is sourced from PubChem (CID 158408137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).