CID 170395145

C19H23F3N6O2 — CID 170395145

IUPAC—
SMILESCc1nn(C)c2c1OCC1(CNc3nc(ncc3C(F)(F)F)N2)CC12CCOCC2
InChIInChI=1S/C19H23F3N6O2/c1-11-13-15(28(2)27-11)26-16-23-7-12(19(20,21)22)14(25-16)24-9-18(10-30-13)8-17(18)3-5-29-6-4-17/h7H,3-6,8-10H2,1-2H3,(H2,23,24,25,26)
InChIKeyRCSKMRKXOIKQHZ-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.27
Rot. Bonds

About CID 170395145

CID 170395145 (PubChem CID 170395145) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol.

Molecular Properties

Compound NameCID 170395145
PubChem CID170395145
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name—
SMILESCc1nn(C)c2c1OCC1(CNc3nc(ncc3C(F)(F)F)N2)CC12CCOCC2
InChIInChI=1S/C19H23F3N6O2/c1-11-13-15(28(2)27-11)26-16-23-7-12(19(20,21)22)14(25-16)24-9-18(10-30-13)8-17(18)3-5-29-6-4-17/h7H,3-6,8-10H2,1-2H3,(H2,23,24,25,26)
InChIKeyRCSKMRKXOIKQHZ-UHFFFAOYSA-N
XLogP3.27
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 170395145?
The IUPAC name of CID 170395145 (CID 170395145) is not available.
What is the SMILES notation for CID 170395145?
The canonical SMILES for CID 170395145 is Cc1nn(C)c2c1OCC1(CNc3nc(ncc3C(F)(F)F)N2)CC12CCOCC2.
What is the InChIKey of CID 170395145?
The InChIKey is RCSKMRKXOIKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-11-13-15(28(2)27-11)26-16-23-7-12(19(20,21)22)14(25-16)24-9-18(10-30-13)8-17(18)3-5-29-6-4-17/h7H,3-6,8-10H2,1-2H3,(H2,23,24,25,26).
What are the key properties of CID 170395145?
CID 170395145 has a molecular weight of 424.43 g/mol, XLogP of 3.27, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170395145 is sourced from PubChem (CID 170395145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).