CID 59482340

C21H36FN7O2 — CID 59482340

IUPAC—
SMILESCC1(C)CC(Nc2nc(F)nc(NC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C21H36FN7O2/c1-18(2)9-13(10-19(3,4)28(18)30)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29(31)21(7,8)12-14/h13-14H,9-12H2,1-8H3,(H2,23,24,25,26,27)
InChIKeyUIDUTLNRSDKRQV-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.57
Rot. Bonds4

About CID 59482340

CID 59482340 (PubChem CID 59482340) has the molecular formula C21H36FN7O2 and a molecular weight of 437.56 g/mol.

Molecular Properties

Compound NameCID 59482340
PubChem CID59482340
Molecular FormulaC21H36FN7O2
Molecular Weight437.56 g/mol
Exact Mass437.29
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(F)nc(NC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C21H36FN7O2/c1-18(2)9-13(10-19(3,4)28(18)30)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29(31)21(7,8)12-14/h13-14H,9-12H2,1-8H3,(H2,23,24,25,26,27)
InChIKeyUIDUTLNRSDKRQV-UHFFFAOYSA-N
XLogP3.57
TPSA109.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 59482340?
The IUPAC name of CID 59482340 (CID 59482340) is not available.
What is the SMILES notation for CID 59482340?
The canonical SMILES for CID 59482340 is CC1(C)CC(Nc2nc(F)nc(NC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482340?
The InChIKey is UIDUTLNRSDKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36FN7O2/c1-18(2)9-13(10-19(3,4)28(18)30)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29(31)21(7,8)12-14/h13-14H,9-12H2,1-8H3,(H2,23,24,25,26,27).
What are the key properties of CID 59482340?
CID 59482340 has a molecular weight of 437.56 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482340 is sourced from PubChem (CID 59482340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).