CID 134445379

C26H29F3N2O4 — CID 134445379

IUPAC—
SMILESCC(C)c1nc2c(c3c1C(O)(c1ccc(C(F)(F)F)nc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2
InChIInChI=1S/C26H29F3N2O4/c1-14(2)22-21-20(19-16(31-22)11-23(5-6-23)12-17(19)32)24(7-9-34-10-8-24)35-25(21,33)15-3-4-18(30-13-15)26(27,28)29/h3-4,13-14,17,32-33H,5-12H2,1-2H3/t17-,25?/m0/s1
InChIKeyYFKKDMHVWDPMSI-LFUZPPSTSA-N
MW490.52 g/mol
LogP4.61
Rot. Bonds2

About CID 134445379

CID 134445379 (PubChem CID 134445379) has the molecular formula C26H29F3N2O4 and a molecular weight of 490.52 g/mol.

Molecular Properties

Compound NameCID 134445379
PubChem CID134445379
Molecular FormulaC26H29F3N2O4
Molecular Weight490.52 g/mol
Exact Mass490.21
IUPAC Name—
SMILESCC(C)c1nc2c(c3c1C(O)(c1ccc(C(F)(F)F)nc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2
InChIInChI=1S/C26H29F3N2O4/c1-14(2)22-21-20(19-16(31-22)11-23(5-6-23)12-17(19)32)24(7-9-34-10-8-24)35-25(21,33)15-3-4-18(30-13-15)26(27,28)29/h3-4,13-14,17,32-33H,5-12H2,1-2H3/t17-,25?/m0/s1
InChIKeyYFKKDMHVWDPMSI-LFUZPPSTSA-N
XLogP4.61
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 134445379?
The IUPAC name of CID 134445379 (CID 134445379) is not available.
What is the SMILES notation for CID 134445379?
The canonical SMILES for CID 134445379 is CC(C)c1nc2c(c3c1C(O)(c1ccc(C(F)(F)F)nc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2.
What is the InChIKey of CID 134445379?
The InChIKey is YFKKDMHVWDPMSI-LFUZPPSTSA-N. The full InChI is InChI=1S/C26H29F3N2O4/c1-14(2)22-21-20(19-16(31-22)11-23(5-6-23)12-17(19)32)24(7-9-34-10-8-24)35-25(21,33)15-3-4-18(30-13-15)26(27,28)29/h3-4,13-14,17,32-33H,5-12H2,1-2H3/t17-,25?/m0/s1.
What are the key properties of CID 134445379?
CID 134445379 has a molecular weight of 490.52 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134445379 is sourced from PubChem (CID 134445379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).