CID 140897870

C23H26FN3O2 — CID 140897870

IUPAC—
SMILES[2H]C([2H])([2H])O[C@H]1CC[C@@]2(Cc3ccc(-c4cncc(F)c4)cc3[C@@]23N=C(N)OC3([2H])[2H])C[C@@H]1C
InChIInChI=1S/C23H26FN3O2/c1-14-9-22(6-5-20(14)28-2)10-16-4-3-15(17-7-18(24)12-26-11-17)8-19(16)23(22)13-29-21(25)27-23/h3-4,7-8,11-12,14,20H,5-6,9-10,13H2,1-2H3,(H2,25,27)/t14-,20-,22-,23+/m0/s1/i2D3,13D2
InChIKeyNGMOSAHKOLTNQD-DNXRCKOLSA-N
MW400.51 g/mol
LogP3.81
Rot. Bonds3

About CID 140897870

CID 140897870 (PubChem CID 140897870) has the molecular formula C23H26FN3O2 and a molecular weight of 400.51 g/mol.

Molecular Properties

Compound NameCID 140897870
PubChem CID140897870
Molecular FormulaC23H26FN3O2
Molecular Weight400.51 g/mol
Exact Mass400.23
IUPAC Name—
SMILES[2H]C([2H])([2H])O[C@H]1CC[C@@]2(Cc3ccc(-c4cncc(F)c4)cc3[C@@]23N=C(N)OC3([2H])[2H])C[C@@H]1C
InChIInChI=1S/C23H26FN3O2/c1-14-9-22(6-5-20(14)28-2)10-16-4-3-15(17-7-18(24)12-26-11-17)8-19(16)23(22)13-29-21(25)27-23/h3-4,7-8,11-12,14,20H,5-6,9-10,13H2,1-2H3,(H2,25,27)/t14-,20-,22-,23+/m0/s1/i2D3,13D2
InChIKeyNGMOSAHKOLTNQD-DNXRCKOLSA-N
XLogP3.81
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 140897870?
The IUPAC name of CID 140897870 (CID 140897870) is not available.
What is the SMILES notation for CID 140897870?
The canonical SMILES for CID 140897870 is [2H]C([2H])([2H])O[C@H]1CC[C@@]2(Cc3ccc(-c4cncc(F)c4)cc3[C@@]23N=C(N)OC3([2H])[2H])C[C@@H]1C.
What is the InChIKey of CID 140897870?
The InChIKey is NGMOSAHKOLTNQD-DNXRCKOLSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-14-9-22(6-5-20(14)28-2)10-16-4-3-15(17-7-18(24)12-26-11-17)8-19(16)23(22)13-29-21(25)27-23/h3-4,7-8,11-12,14,20H,5-6,9-10,13H2,1-2H3,(H2,25,27)/t14-,20-,22-,23+/m0/s1/i2D3,13D2.
What are the key properties of CID 140897870?
CID 140897870 has a molecular weight of 400.51 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140897870 is sourced from PubChem (CID 140897870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).