[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine

C18H17F4N5 — CID 21492828

IUPAC[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine
SMILESCCCC1N=C(c2ccccn2)c2cc(F)c(C(F)(F)F)cc2N=C1NN
InChIInChI=1S/C18H17F4N5/c1-2-5-14-17(27-23)26-15-9-11(18(20,21)22)12(19)8-10(15)16(25-14)13-6-3-4-7-24-13/h3-4,6-9,14H,2,5,23H2,1H3,(H,26,27)
InChIKeyOUDKAKTXZKHWOK-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.75
Rot. Bonds3

About [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine

[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine (PubChem CID 21492828) has the molecular formula C18H17F4N5 and a molecular weight of 379.36 g/mol. Its IUPAC name is [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine.

Molecular Properties

Compound Name[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine
PubChem CID21492828
Molecular FormulaC18H17F4N5
Molecular Weight379.36 g/mol
Exact Mass379.14
IUPAC Name[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine
SMILESCCCC1N=C(c2ccccn2)c2cc(F)c(C(F)(F)F)cc2N=C1NN
InChIInChI=1S/C18H17F4N5/c1-2-5-14-17(27-23)26-15-9-11(18(20,21)22)12(19)8-10(15)16(25-14)13-6-3-4-7-24-13/h3-4,6-9,14H,2,5,23H2,1H3,(H,26,27)
InChIKeyOUDKAKTXZKHWOK-UHFFFAOYSA-N
XLogP3.75
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine?
The IUPAC name of [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine (CID 21492828) is [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine.
What is the SMILES notation for [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine?
The canonical SMILES for [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine is CCCC1N=C(c2ccccn2)c2cc(F)c(C(F)(F)F)cc2N=C1NN.
What is the InChIKey of [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine?
The InChIKey is OUDKAKTXZKHWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N5/c1-2-5-14-17(27-23)26-15-9-11(18(20,21)22)12(19)8-10(15)16(25-14)13-6-3-4-7-24-13/h3-4,6-9,14H,2,5,23H2,1H3,(H,26,27).
What are the key properties of [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine?
[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine has a molecular weight of 379.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine is sourced from PubChem (CID 21492828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).